(1S)-1-(4-chlorophenyl)-N-(1H-indol-6-ylmethyl)ethanamine

C17H17ClN2 — CID 102911528

IUPAC(1S)-1-(4-chlorophenyl)-N-(1H-indol-6-ylmethyl)ethanamine
SMILESC[C@H](NCc1ccc2cc[nH]c2c1)c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2/c1-12(14-4-6-16(18)7-5-14)20-11-13-2-3-15-8-9-19-17(15)10-13/h2-10,12,19-20H,11H2,1H3/t12-/m0/s1
InChIKeyNBKNCVAXEYUQCF-LBPRGKRZSA-N
MW284.79 g/mol
LogP4.67
Rot. Bonds4

About (1S)-1-(4-chlorophenyl)-N-(1H-indol-6-ylmethyl)ethanamine

(1S)-1-(4-chlorophenyl)-N-(1H-indol-6-ylmethyl)ethanamine (PubChem CID 102911528) has the molecular formula C17H17ClN2 and a molecular weight of 284.79 g/mol. Its IUPAC name is (1S)-1-(4-chlorophenyl)-N-(1H-indol-6-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(4-chlorophenyl)-N-(1H-indol-6-ylmethyl)ethanamine
PubChem CID102911528
Molecular FormulaC17H17ClN2
Molecular Weight284.79 g/mol
Exact Mass284.11
IUPAC Name(1S)-1-(4-chlorophenyl)-N-(1H-indol-6-ylmethyl)ethanamine
SMILESC[C@H](NCc1ccc2cc[nH]c2c1)c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2/c1-12(14-4-6-16(18)7-5-14)20-11-13-2-3-15-8-9-19-17(15)10-13/h2-10,12,19-20H,11H2,1H3/t12-/m0/s1
InChIKeyNBKNCVAXEYUQCF-LBPRGKRZSA-N
XLogP4.67
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1H-indol-6-ylmethyl)-1-(4-methylphenyl)ethanamine
CID 102910050
N-(1H-indol-6-ylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 102911336
(1S)-1-(3-fluorophenyl)-N-(1H-indol-6-ylmethyl)ethanamine
CID 102911546
1-(3-chlorophenyl)-N-(1H-indol-6-ylmethyl)propan-1-amine
CID 102909523
4-[1-(1H-indol-5-ylmethylamino)ethyl]benzonitrile
CID 102909627
(1R)-N-[(3-chloro-4-fluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81350945
(1R)-N-[(3-bromo-4-chlorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 83230349
1-N-ethyl-2-N-(1H-indol-6-ylmethyl)propane-1,2-diamine
CID 113407270
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1H-indol-6-ylmethyl)ethanamine
CID 102911382
(1R)-N-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 28738276
(1S)-1-(4-chlorophenyl)-N-[[4-(difluoromethyl)phenyl]methyl]ethanamine
CID 115524132
N-[(4-chlorophenyl)methyl]-1-(3,5-dimethylphenyl)ethanamine
CID 78950390

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-chlorophenyl)-N-(1H-indol-6-ylmethyl)ethanamine?
The IUPAC name of (1S)-1-(4-chlorophenyl)-N-(1H-indol-6-ylmethyl)ethanamine (CID 102911528) is (1S)-1-(4-chlorophenyl)-N-(1H-indol-6-ylmethyl)ethanamine.
What is the SMILES notation for (1S)-1-(4-chlorophenyl)-N-(1H-indol-6-ylmethyl)ethanamine?
The canonical SMILES for (1S)-1-(4-chlorophenyl)-N-(1H-indol-6-ylmethyl)ethanamine is C[C@H](NCc1ccc2cc[nH]c2c1)c1ccc(Cl)cc1.
What is the InChIKey of (1S)-1-(4-chlorophenyl)-N-(1H-indol-6-ylmethyl)ethanamine?
The InChIKey is NBKNCVAXEYUQCF-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H17ClN2/c1-12(14-4-6-16(18)7-5-14)20-11-13-2-3-15-8-9-19-17(15)10-13/h2-10,12,19-20H,11H2,1H3/t12-/m0/s1.
What are the key properties of (1S)-1-(4-chlorophenyl)-N-(1H-indol-6-ylmethyl)ethanamine?
(1S)-1-(4-chlorophenyl)-N-(1H-indol-6-ylmethyl)ethanamine has a molecular weight of 284.79 g/mol, XLogP of 4.67, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-chlorophenyl)-N-(1H-indol-6-ylmethyl)ethanamine is sourced from PubChem (CID 102911528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).