(1R)-N-[(3-chloro-1H-indol-2-yl)methyl]-1-(4-methylphenyl)ethanamine

C18H19ClN2 — CID 81346935

IUPAC(1R)-N-[(3-chloro-1H-indol-2-yl)methyl]-1-(4-methylphenyl)ethanamine
SMILESCc1ccc([C@@H](C)NCc2[nH]c3ccccc3c2Cl)cc1
InChIInChI=1S/C18H19ClN2/c1-12-7-9-14(10-8-12)13(2)20-11-17-18(19)15-5-3-4-6-16(15)21-17/h3-10,13,20-21H,11H2,1-2H3/t13-/m1/s1
InChIKeyISTGHEWVJHFFQF-CYBMUJFWSA-N
MW298.82 g/mol
LogP4.98
Rot. Bonds4

About (1R)-N-[(3-chloro-1H-indol-2-yl)methyl]-1-(4-methylphenyl)ethanamine

(1R)-N-[(3-chloro-1H-indol-2-yl)methyl]-1-(4-methylphenyl)ethanamine (PubChem CID 81346935) has the molecular formula C18H19ClN2 and a molecular weight of 298.82 g/mol. Its IUPAC name is (1R)-N-[(3-chloro-1H-indol-2-yl)methyl]-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[(3-chloro-1H-indol-2-yl)methyl]-1-(4-methylphenyl)ethanamine
PubChem CID81346935
Molecular FormulaC18H19ClN2
Molecular Weight298.82 g/mol
Exact Mass298.12
IUPAC Name(1R)-N-[(3-chloro-1H-indol-2-yl)methyl]-1-(4-methylphenyl)ethanamine
SMILESCc1ccc([C@@H](C)NCc2[nH]c3ccccc3c2Cl)cc1
InChIInChI=1S/C18H19ClN2/c1-12-7-9-14(10-8-12)13(2)20-11-17-18(19)15-5-3-4-6-16(15)21-17/h3-10,13,20-21H,11H2,1-2H3/t13-/m1/s1
InChIKeyISTGHEWVJHFFQF-CYBMUJFWSA-N
XLogP4.98
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.82
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-N-[(3-chloro-1H-indol-2-yl)methyl]-1-pyridin-3-ylethanamine
CID 81407475
(1S)-1-(2-bromophenyl)-N-[(3-chloro-1H-indol-2-yl)methyl]ethanamine
CID 81378563
(1S)-N-[(3-chloro-1H-indol-2-yl)methyl]-1-pyridin-2-ylethanamine
CID 81401552
N-[(3-chloro-1H-indol-2-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 106282142
N-[(3-chloro-1H-indol-2-yl)methyl]-2,2-difluoroethanamine
CID 115406062
1-(4-methylphenyl)-N-(quinolin-4-ylmethyl)ethanamine
CID 63850384
3-[(3-chloro-1H-indol-2-yl)methylamino]-4-methoxybutan-1-ol
CID 106156934
1-(4-methylphenyl)-N-[(2,3,6-trichlorophenyl)methyl]ethanamine
CID 78943862
N-[(3-chloro-1H-indol-2-yl)methyl]-1-(2-ethylphenyl)methanamine
CID 64681357
(1R)-N-[(3,5-dichlorophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81348826
(1S)-1-(4-methylphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 81356963
N-[(4-methylphenyl)methyl]-1-phenylethanamine;hydrochloride
CID 15945718

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(3-chloro-1H-indol-2-yl)methyl]-1-(4-methylphenyl)ethanamine?
The IUPAC name of (1R)-N-[(3-chloro-1H-indol-2-yl)methyl]-1-(4-methylphenyl)ethanamine (CID 81346935) is (1R)-N-[(3-chloro-1H-indol-2-yl)methyl]-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for (1R)-N-[(3-chloro-1H-indol-2-yl)methyl]-1-(4-methylphenyl)ethanamine?
The canonical SMILES for (1R)-N-[(3-chloro-1H-indol-2-yl)methyl]-1-(4-methylphenyl)ethanamine is Cc1ccc([C@@H](C)NCc2[nH]c3ccccc3c2Cl)cc1.
What is the InChIKey of (1R)-N-[(3-chloro-1H-indol-2-yl)methyl]-1-(4-methylphenyl)ethanamine?
The InChIKey is ISTGHEWVJHFFQF-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H19ClN2/c1-12-7-9-14(10-8-12)13(2)20-11-17-18(19)15-5-3-4-6-16(15)21-17/h3-10,13,20-21H,11H2,1-2H3/t13-/m1/s1.
What are the key properties of (1R)-N-[(3-chloro-1H-indol-2-yl)methyl]-1-(4-methylphenyl)ethanamine?
(1R)-N-[(3-chloro-1H-indol-2-yl)methyl]-1-(4-methylphenyl)ethanamine has a molecular weight of 298.82 g/mol, XLogP of 4.98, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(3-chloro-1H-indol-2-yl)methyl]-1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 81346935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).