N,N-dimethyl-1-(4-methyl-7-phenylmethoxy-2,3-dihydro-1H-cyclopenta[b]indol-2-yl)methanamine;hydrochloride

C22H27ClN2O — CID 18964021

IUPACN,N-dimethyl-1-(4-methyl-7-phenylmethoxy-2,3-dihydro-1H-cyclopenta[b]indol-2-yl)methanamine;hydrochloride
SMILESCN(C)CC1Cc2c(n(C)c3ccc(OCc4ccccc4)cc23)C1.Cl
InChIInChI=1S/C22H26N2O.ClH/c1-23(2)14-17-11-19-20-13-18(25-15-16-7-5-4-6-8-16)9-10-21(20)24(3)22(19)12-17;/h4-10,13,17H,11-12,14-15H2,1-3H3;1H
InChIKeyBHJMMNXHXSCWQN-UHFFFAOYSA-N
MW370.92 g/mol
LogP4.46
Rot. Bonds5

About N,N-dimethyl-1-(4-methyl-7-phenylmethoxy-2,3-dihydro-1H-cyclopenta[b]indol-2-yl)methanamine;hydrochloride

N,N-dimethyl-1-(4-methyl-7-phenylmethoxy-2,3-dihydro-1H-cyclopenta[b]indol-2-yl)methanamine;hydrochloride (PubChem CID 18964021) has the molecular formula C22H27ClN2O and a molecular weight of 370.92 g/mol. Its IUPAC name is N,N-dimethyl-1-(4-methyl-7-phenylmethoxy-2,3-dihydro-1H-cyclopenta[b]indol-2-yl)methanamine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-1-(4-methyl-7-phenylmethoxy-2,3-dihydro-1H-cyclopenta[b]indol-2-yl)methanamine;hydrochloride
PubChem CID18964021
Molecular FormulaC22H27ClN2O
Molecular Weight370.92 g/mol
Exact Mass370.18
IUPAC NameN,N-dimethyl-1-(4-methyl-7-phenylmethoxy-2,3-dihydro-1H-cyclopenta[b]indol-2-yl)methanamine;hydrochloride
SMILESCN(C)CC1Cc2c(n(C)c3ccc(OCc4ccccc4)cc23)C1.Cl
InChIInChI=1S/C22H26N2O.ClH/c1-23(2)14-17-11-19-20-13-18(25-15-16-7-5-4-6-8-16)9-10-21(20)24(3)22(19)12-17;/h4-10,13,17H,11-12,14-15H2,1-3H3;1H
InChIKeyBHJMMNXHXSCWQN-UHFFFAOYSA-N
XLogP4.46
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.92
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze N,N-dimethyl-1-(4-methyl-7-phenylmethoxy-2,3-dihydro-1H-cyclopenta[b]indol-2-yl)methanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-dimethyl-5-phenylmethoxyindole
CID 23383486
9-[(4-methylphenyl)methyl]-6-phenylmethoxy-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid
CID 141445340
(3R)-9-(4-chlorobenzoyl)-6-phenylmethoxy-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid
CID 141445339
9-(4-chlorobenzoyl)-6-phenylmethoxy-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid
CID 141445345
methyl 3-acetamido-1-methyl-5-phenylmethoxyindole-2-carboxylate
CID 4777725
1-[6-[(3-bromophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-N,N-dimethylmethanamine
CID 18361480
1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(4-phenylmethoxyphenyl)propan-1-one
CID 70205812
2-(cyclobutylmethoxy)-1-methyl-6-phenylmethoxybenzimidazole
CID 154946893
9-[[4-(2-carboxyphenyl)phenyl]methyl]-6-phenylmethoxy-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid
CID 141445334
1-benzyl-4-hydroxy-6-phenylmethoxyquinolin-2-one
CID 54729466
3-methoxy-1-methyl-4,7-bis(phenylmethoxy)quinolin-2-one
CID 139718000
1-methyl-5-phenylmethoxy-2H-indol-3-one
CID 155591084

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(4-methyl-7-phenylmethoxy-2,3-dihydro-1H-cyclopenta[b]indol-2-yl)methanamine;hydrochloride?
The IUPAC name of N,N-dimethyl-1-(4-methyl-7-phenylmethoxy-2,3-dihydro-1H-cyclopenta[b]indol-2-yl)methanamine;hydrochloride (CID 18964021) is N,N-dimethyl-1-(4-methyl-7-phenylmethoxy-2,3-dihydro-1H-cyclopenta[b]indol-2-yl)methanamine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-1-(4-methyl-7-phenylmethoxy-2,3-dihydro-1H-cyclopenta[b]indol-2-yl)methanamine;hydrochloride?
The canonical SMILES for N,N-dimethyl-1-(4-methyl-7-phenylmethoxy-2,3-dihydro-1H-cyclopenta[b]indol-2-yl)methanamine;hydrochloride is CN(C)CC1Cc2c(n(C)c3ccc(OCc4ccccc4)cc23)C1.Cl.
What is the InChIKey of N,N-dimethyl-1-(4-methyl-7-phenylmethoxy-2,3-dihydro-1H-cyclopenta[b]indol-2-yl)methanamine;hydrochloride?
The InChIKey is BHJMMNXHXSCWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O.ClH/c1-23(2)14-17-11-19-20-13-18(25-15-16-7-5-4-6-8-16)9-10-21(20)24(3)22(19)12-17;/h4-10,13,17H,11-12,14-15H2,1-3H3;1H.
What are the key properties of N,N-dimethyl-1-(4-methyl-7-phenylmethoxy-2,3-dihydro-1H-cyclopenta[b]indol-2-yl)methanamine;hydrochloride?
N,N-dimethyl-1-(4-methyl-7-phenylmethoxy-2,3-dihydro-1H-cyclopenta[b]indol-2-yl)methanamine;hydrochloride has a molecular weight of 370.92 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(4-methyl-7-phenylmethoxy-2,3-dihydro-1H-cyclopenta[b]indol-2-yl)methanamine;hydrochloride is sourced from PubChem (CID 18964021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).