N-[(3-chloro-1H-indol-2-yl)methyl]-1-(2-ethylphenyl)methanamine

C18H19ClN2 — CID 64681357

IUPACN-[(3-chloro-1H-indol-2-yl)methyl]-1-(2-ethylphenyl)methanamine
SMILESCCc1ccccc1CNCc1[nH]c2ccccc2c1Cl
InChIInChI=1S/C18H19ClN2/c1-2-13-7-3-4-8-14(13)11-20-12-17-18(19)15-9-5-6-10-16(15)21-17/h3-10,20-21H,2,11-12H2,1H3
InChIKeyCKGYWDVMSQOTHE-UHFFFAOYSA-N
MW298.82 g/mol
LogP4.67
Rot. Bonds5

About N-[(3-chloro-1H-indol-2-yl)methyl]-1-(2-ethylphenyl)methanamine

N-[(3-chloro-1H-indol-2-yl)methyl]-1-(2-ethylphenyl)methanamine (PubChem CID 64681357) has the molecular formula C18H19ClN2 and a molecular weight of 298.82 g/mol. Its IUPAC name is N-[(3-chloro-1H-indol-2-yl)methyl]-1-(2-ethylphenyl)methanamine.

Molecular Properties

Compound NameN-[(3-chloro-1H-indol-2-yl)methyl]-1-(2-ethylphenyl)methanamine
PubChem CID64681357
Molecular FormulaC18H19ClN2
Molecular Weight298.82 g/mol
Exact Mass298.12
IUPAC NameN-[(3-chloro-1H-indol-2-yl)methyl]-1-(2-ethylphenyl)methanamine
SMILESCCc1ccccc1CNCc1[nH]c2ccccc2c1Cl
InChIInChI=1S/C18H19ClN2/c1-2-13-7-3-4-8-14(13)11-20-12-17-18(19)15-9-5-6-10-16(15)21-17/h3-10,20-21H,2,11-12H2,1H3
InChIKeyCKGYWDVMSQOTHE-UHFFFAOYSA-N
XLogP4.67
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.82
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3-chloro-1H-indol-2-yl)methylamino]-N-ethylethanesulfonamide
CID 106334546
N-[(3-chloro-1H-indol-2-yl)methyl]-2,2-difluoroethanamine
CID 115406062
N-[(3-chloro-1H-indol-2-yl)methyl]-1-(2-methylcyclopropyl)methanamine
CID 113463718
1-[[(3-chloro-1H-indol-2-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 83107760
N-[(3-chloro-1H-indol-2-yl)methyl]pent-4-yn-1-amine
CID 114159971
2-[(3-chloro-1H-indol-2-yl)methylamino]-2-methylbutan-1-ol
CID 64550785
tert-butyl N-[2-[(3-chloro-1H-indol-2-yl)methylamino]ethyl]-N-methylcarbamate
CID 107245125
N-[(3-chloro-1H-indol-2-yl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106040713
2-[2-[(3-chloro-1H-indol-2-yl)methylamino]ethoxy]acetamide
CID 106235822
N-[(3-chloro-1H-indol-2-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine
CID 106104325
N-[(3-chloro-1H-indol-2-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 106394904
(1R)-N-[(3-chloro-1H-indol-2-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 81346935

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-1H-indol-2-yl)methyl]-1-(2-ethylphenyl)methanamine?
The IUPAC name of N-[(3-chloro-1H-indol-2-yl)methyl]-1-(2-ethylphenyl)methanamine (CID 64681357) is N-[(3-chloro-1H-indol-2-yl)methyl]-1-(2-ethylphenyl)methanamine.
What is the SMILES notation for N-[(3-chloro-1H-indol-2-yl)methyl]-1-(2-ethylphenyl)methanamine?
The canonical SMILES for N-[(3-chloro-1H-indol-2-yl)methyl]-1-(2-ethylphenyl)methanamine is CCc1ccccc1CNCc1[nH]c2ccccc2c1Cl.
What is the InChIKey of N-[(3-chloro-1H-indol-2-yl)methyl]-1-(2-ethylphenyl)methanamine?
The InChIKey is CKGYWDVMSQOTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2/c1-2-13-7-3-4-8-14(13)11-20-12-17-18(19)15-9-5-6-10-16(15)21-17/h3-10,20-21H,2,11-12H2,1H3.
What are the key properties of N-[(3-chloro-1H-indol-2-yl)methyl]-1-(2-ethylphenyl)methanamine?
N-[(3-chloro-1H-indol-2-yl)methyl]-1-(2-ethylphenyl)methanamine has a molecular weight of 298.82 g/mol, XLogP of 4.67, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-1H-indol-2-yl)methyl]-1-(2-ethylphenyl)methanamine is sourced from PubChem (CID 64681357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).