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

C22H26Cl2N2 — CID 17211023

IUPACN-[[1-[(2,4-dichlorophenyl)methyl]-2-methylindol-3-yl]methyl]-2-methylbutan-2-amine
SMILESCCC(C)(C)NCc1c(C)n(Cc2ccc(Cl)cc2Cl)c2ccccc12
InChIInChI=1S/C22H26Cl2N2/c1-5-22(3,4)25-13-19-15(2)26(21-9-7-6-8-18(19)21)14-16-10-11-17(23)12-20(16)24/h6-12,25H,5,13-14H2,1-4H3
InChIKeyCBYCECVUYKDZMQ-UHFFFAOYSA-N
MW389.37 g/mol
LogP6.58
Rot. Bonds6

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

N-[[1-[(2,4-dichlorophenyl)methyl]-2-methylindol-3-yl]methyl]-2-methylbutan-2-amine (PubChem CID 17211023) 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]-2-methylbutan-2-amine.

Molecular Properties

Compound NameN-[[1-[(2,4-dichlorophenyl)methyl]-2-methylindol-3-yl]methyl]-2-methylbutan-2-amine
PubChem CID17211023
Molecular FormulaC22H26Cl2N2
Molecular Weight389.37 g/mol
Exact Mass388.15
IUPAC NameN-[[1-[(2,4-dichlorophenyl)methyl]-2-methylindol-3-yl]methyl]-2-methylbutan-2-amine
SMILESCCC(C)(C)NCc1c(C)n(Cc2ccc(Cl)cc2Cl)c2ccccc12
InChIInChI=1S/C22H26Cl2N2/c1-5-22(3,4)25-13-19-15(2)26(21-9-7-6-8-18(19)21)14-16-10-11-17(23)12-20(16)24/h6-12,25H,5,13-14H2,1-4H3
InChIKeyCBYCECVUYKDZMQ-UHFFFAOYSA-N
XLogP6.58
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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'}

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Related Compounds

N-[[1-[(2,4-dichlorophenyl)methyl]-2-methylindol-3-yl]methyl]pentan-1-amine
CID 17157655
N-[[1-[(2,4-dichlorophenyl)methyl]-2-methylindol-3-yl]methyl]hexan-1-amine
CID 17157689
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]-4-phenylbutan-2-amine;hydrochloride
CID 17211445
N-[[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methyl]butan-1-amine
CID 17157200
N-[[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methyl]butan-2-amine
CID 17157794
(2R)-N-[[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methyl]butan-2-amine
CID 41449135
3-[[1-[(2,4-dichlorophenyl)methyl]-2-methylindol-3-yl]methylamino]adamantan-1-ol
CID 17216851
N-[[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methyl]butan-2-amine;hydrochloride
CID 17157793
N-[[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methyl]-2-methylpropan-1-amine
CID 17157762
N-[[1-[(2,4-dichlorophenyl)methyl]-2-methylindol-3-yl]methyl]-2-(1-phenyltetrazol-5-yl)sulfanylethanamine
CID 17158621

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2,4-dichlorophenyl)methyl]-2-methylindol-3-yl]methyl]-2-methylbutan-2-amine?
The IUPAC name of N-[[1-[(2,4-dichlorophenyl)methyl]-2-methylindol-3-yl]methyl]-2-methylbutan-2-amine (CID 17211023) is N-[[1-[(2,4-dichlorophenyl)methyl]-2-methylindol-3-yl]methyl]-2-methylbutan-2-amine.
What is the SMILES notation for N-[[1-[(2,4-dichlorophenyl)methyl]-2-methylindol-3-yl]methyl]-2-methylbutan-2-amine?
The canonical SMILES for N-[[1-[(2,4-dichlorophenyl)methyl]-2-methylindol-3-yl]methyl]-2-methylbutan-2-amine is CCC(C)(C)NCc1c(C)n(Cc2ccc(Cl)cc2Cl)c2ccccc12.
What is the InChIKey of N-[[1-[(2,4-dichlorophenyl)methyl]-2-methylindol-3-yl]methyl]-2-methylbutan-2-amine?
The InChIKey is CBYCECVUYKDZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2N2/c1-5-22(3,4)25-13-19-15(2)26(21-9-7-6-8-18(19)21)14-16-10-11-17(23)12-20(16)24/h6-12,25H,5,13-14H2,1-4H3.
What are the key properties of N-[[1-[(2,4-dichlorophenyl)methyl]-2-methylindol-3-yl]methyl]-2-methylbutan-2-amine?
N-[[1-[(2,4-dichlorophenyl)methyl]-2-methylindol-3-yl]methyl]-2-methylbutan-2-amine has a molecular weight of 389.37 g/mol, XLogP of 6.58, 6 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]-2-methylbutan-2-amine is sourced from PubChem (CID 17211023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).