N-[[1-[(2,4-dichlorophenyl)methyl]-2-methylindol-3-yl]methyl]pentan-1-amine

C22H26Cl2N2 — CID 17157655

IUPACN-[[1-[(2,4-dichlorophenyl)methyl]-2-methylindol-3-yl]methyl]pentan-1-amine
SMILESCCCCCNCc1c(C)n(Cc2ccc(Cl)cc2Cl)c2ccccc12
InChIInChI=1S/C22H26Cl2N2/c1-3-4-7-12-25-14-20-16(2)26(22-9-6-5-8-19(20)22)15-17-10-11-18(23)13-21(17)24/h5-6,8-11,13,25H,3-4,7,12,14-15H2,1-2H3
InChIKeyQVLSYOPLEAGPEE-UHFFFAOYSA-N
MW389.37 g/mol
LogP6.58
Rot. Bonds8

About N-[[1-[(2,4-dichlorophenyl)methyl]-2-methylindol-3-yl]methyl]pentan-1-amine

N-[[1-[(2,4-dichlorophenyl)methyl]-2-methylindol-3-yl]methyl]pentan-1-amine (PubChem CID 17157655) has the molecular formula C22H26Cl2N2 and a molecular weight of 389.37 g/mol. Its IUPAC name is N-[[1-[(2,4-dichlorophenyl)methyl]-2-methylindol-3-yl]methyl]pentan-1-amine.

Molecular Properties

Compound NameN-[[1-[(2,4-dichlorophenyl)methyl]-2-methylindol-3-yl]methyl]pentan-1-amine
PubChem CID17157655
Molecular FormulaC22H26Cl2N2
Molecular Weight389.37 g/mol
Exact Mass388.15
IUPAC NameN-[[1-[(2,4-dichlorophenyl)methyl]-2-methylindol-3-yl]methyl]pentan-1-amine
SMILESCCCCCNCc1c(C)n(Cc2ccc(Cl)cc2Cl)c2ccccc12
InChIInChI=1S/C22H26Cl2N2/c1-3-4-7-12-25-14-20-16(2)26(22-9-6-5-8-19(20)22)15-17-10-11-18(23)13-21(17)24/h5-6,8-11,13,25H,3-4,7,12,14-15H2,1-2H3
InChIKeyQVLSYOPLEAGPEE-UHFFFAOYSA-N
XLogP6.58
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.37
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[1-[(2,4-dichlorophenyl)methyl]-2-methylindol-3-yl]methyl]pentan-1-amine 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

N-[[1-[(2,4-dichlorophenyl)methyl]-2-methylindol-3-yl]methyl]hexan-1-amine
CID 17157689
N-[[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methyl]butan-1-amine
CID 17157200
2-[2-[[1-[(2,4-dichlorophenyl)methyl]-2-methylindol-3-yl]methylamino]ethylamino]ethanol;dihydrochloride
CID 17159682
N-[[1-[(2,4-dichlorophenyl)methyl]-2-methylindol-3-yl]methyl]-1-(4-fluorophenyl)methanamine
CID 17158162
N-[[1-[(2,4-dichlorophenyl)methyl]-2-methylindol-3-yl]methyl]-2-methylbutan-2-amine
CID 17211023
N-[[1-[(2,4-dichlorophenyl)methyl]-2-methylindol-3-yl]methyl]-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-amine
CID 17158659
N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]heptan-1-amine;hydrochloride
CID 17157722
N-[[1-[(2,4-dichlorophenyl)methyl]-2-methylindol-3-yl]methyl]-4-phenylbutan-2-amine;hydrochloride
CID 17211445
N-[(2,4-dichlorophenyl)methyl]pentan-1-amine
CID 4716694
N-[[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methyl]-3-ethoxypropan-1-amine;hydrochloride
CID 17157525
N-[[1-[(2,4-dichlorophenyl)methyl]-2-methylindol-3-yl]methyl]-2-(1-phenyltetrazol-5-yl)sulfanylethanamine
CID 17158621
N-[[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methyl]-N',N'-dimethylpropane-1,3-diamine;dihydrochloride
CID 17159795

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2,4-dichlorophenyl)methyl]-2-methylindol-3-yl]methyl]pentan-1-amine?
The IUPAC name of N-[[1-[(2,4-dichlorophenyl)methyl]-2-methylindol-3-yl]methyl]pentan-1-amine (CID 17157655) is N-[[1-[(2,4-dichlorophenyl)methyl]-2-methylindol-3-yl]methyl]pentan-1-amine.
What is the SMILES notation for N-[[1-[(2,4-dichlorophenyl)methyl]-2-methylindol-3-yl]methyl]pentan-1-amine?
The canonical SMILES for N-[[1-[(2,4-dichlorophenyl)methyl]-2-methylindol-3-yl]methyl]pentan-1-amine is CCCCCNCc1c(C)n(Cc2ccc(Cl)cc2Cl)c2ccccc12.
What is the InChIKey of N-[[1-[(2,4-dichlorophenyl)methyl]-2-methylindol-3-yl]methyl]pentan-1-amine?
The InChIKey is QVLSYOPLEAGPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2N2/c1-3-4-7-12-25-14-20-16(2)26(22-9-6-5-8-19(20)22)15-17-10-11-18(23)13-21(17)24/h5-6,8-11,13,25H,3-4,7,12,14-15H2,1-2H3.
What are the key properties of N-[[1-[(2,4-dichlorophenyl)methyl]-2-methylindol-3-yl]methyl]pentan-1-amine?
N-[[1-[(2,4-dichlorophenyl)methyl]-2-methylindol-3-yl]methyl]pentan-1-amine has a molecular weight of 389.37 g/mol, XLogP of 6.58, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2,4-dichlorophenyl)methyl]-2-methylindol-3-yl]methyl]pentan-1-amine is sourced from PubChem (CID 17157655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).