N-[(6-chloro-1H-indol-3-yl)methyl]-N-methylazepan-4-amine

C16H22ClN3 — CID 107171927

IUPACN-[(6-chloro-1H-indol-3-yl)methyl]-N-methylazepan-4-amine
SMILESCN(Cc1c[nH]c2cc(Cl)ccc12)C1CCCNCC1
InChIInChI=1S/C16H22ClN3/c1-20(14-3-2-7-18-8-6-14)11-12-10-19-16-9-13(17)4-5-15(12)16/h4-5,9-10,14,18-19H,2-3,6-8,11H2,1H3
InChIKeyKXFMPXJPFHRHFX-UHFFFAOYSA-N
MW291.83 g/mol
LogP3.40
Rot. Bonds3

About N-[(6-chloro-1H-indol-3-yl)methyl]-N-methylazepan-4-amine

N-[(6-chloro-1H-indol-3-yl)methyl]-N-methylazepan-4-amine (PubChem CID 107171927) has the molecular formula C16H22ClN3 and a molecular weight of 291.83 g/mol. Its IUPAC name is N-[(6-chloro-1H-indol-3-yl)methyl]-N-methylazepan-4-amine.

Molecular Properties

Compound NameN-[(6-chloro-1H-indol-3-yl)methyl]-N-methylazepan-4-amine
PubChem CID107171927
Molecular FormulaC16H22ClN3
Molecular Weight291.83 g/mol
Exact Mass291.15
IUPAC NameN-[(6-chloro-1H-indol-3-yl)methyl]-N-methylazepan-4-amine
SMILESCN(Cc1c[nH]c2cc(Cl)ccc12)C1CCCNCC1
InChIInChI=1S/C16H22ClN3/c1-20(14-3-2-7-18-8-6-14)11-12-10-19-16-9-13(17)4-5-15(12)16/h4-5,9-10,14,18-19H,2-3,6-8,11H2,1H3
InChIKeyKXFMPXJPFHRHFX-UHFFFAOYSA-N
XLogP3.40
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.83
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-chloro-2-fluorophenyl)methyl]-N-methylazepan-4-amine
CID 104974374
N-[(2,5-dichlorophenyl)methyl]-N-methylazepan-4-amine
CID 103519944
N-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)azepan-4-amine
CID 107172040
N-[(2-bromo-4-methylphenyl)methyl]-N-methylazepan-4-amine
CID 107172051
N-[(2-chloro-4-nitrophenyl)methyl]-N-methylazepan-4-amine
CID 104974321
4-[[azepan-4-yl(methyl)amino]methyl]-2-fluorophenol
CID 107692170
N-[(2-bromo-4-fluorophenyl)methyl]-N-methylazepan-4-amine
CID 104974386
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylazepan-4-amine
CID 104974360
N-[(5-chloroquinolin-8-yl)methyl]-N-methylazepan-4-amine
CID 104979426
[2-[(6-chloro-1H-indol-3-yl)methylamino]cyclopentyl]methanol
CID 106359414
4-chloro-2-[[cyclopentyl(methyl)amino]methyl]aniline
CID 79583179
N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-N-methylazepan-4-amine
CID 104974295

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-1H-indol-3-yl)methyl]-N-methylazepan-4-amine?
The IUPAC name of N-[(6-chloro-1H-indol-3-yl)methyl]-N-methylazepan-4-amine (CID 107171927) is N-[(6-chloro-1H-indol-3-yl)methyl]-N-methylazepan-4-amine.
What is the SMILES notation for N-[(6-chloro-1H-indol-3-yl)methyl]-N-methylazepan-4-amine?
The canonical SMILES for N-[(6-chloro-1H-indol-3-yl)methyl]-N-methylazepan-4-amine is CN(Cc1c[nH]c2cc(Cl)ccc12)C1CCCNCC1.
What is the InChIKey of N-[(6-chloro-1H-indol-3-yl)methyl]-N-methylazepan-4-amine?
The InChIKey is KXFMPXJPFHRHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3/c1-20(14-3-2-7-18-8-6-14)11-12-10-19-16-9-13(17)4-5-15(12)16/h4-5,9-10,14,18-19H,2-3,6-8,11H2,1H3.
What are the key properties of N-[(6-chloro-1H-indol-3-yl)methyl]-N-methylazepan-4-amine?
N-[(6-chloro-1H-indol-3-yl)methyl]-N-methylazepan-4-amine has a molecular weight of 291.83 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-1H-indol-3-yl)methyl]-N-methylazepan-4-amine is sourced from PubChem (CID 107171927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).