(1S)-N-(1H-indol-7-ylmethyl)-1-(4-methylphenyl)ethanamine

C18H20N2 — CID 102911524

IUPAC(1S)-N-(1H-indol-7-ylmethyl)-1-(4-methylphenyl)ethanamine
SMILESCc1ccc([C@H](C)NCc2cccc3cc[nH]c23)cc1
InChIInChI=1S/C18H20N2/c1-13-6-8-15(9-7-13)14(2)20-12-17-5-3-4-16-10-11-19-18(16)17/h3-11,14,19-20H,12H2,1-2H3/t14-/m0/s1
InChIKeyKHMUMKZDZPYEJL-AWEZNQCLSA-N
MW264.37 g/mol
LogP4.33
Rot. Bonds4

About (1S)-N-(1H-indol-7-ylmethyl)-1-(4-methylphenyl)ethanamine

(1S)-N-(1H-indol-7-ylmethyl)-1-(4-methylphenyl)ethanamine (PubChem CID 102911524) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is (1S)-N-(1H-indol-7-ylmethyl)-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-(1H-indol-7-ylmethyl)-1-(4-methylphenyl)ethanamine
PubChem CID102911524
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name(1S)-N-(1H-indol-7-ylmethyl)-1-(4-methylphenyl)ethanamine
SMILESCc1ccc([C@H](C)NCc2cccc3cc[nH]c23)cc1
InChIInChI=1S/C18H20N2/c1-13-6-8-15(9-7-13)14(2)20-12-17-5-3-4-16-10-11-19-18(16)17/h3-11,14,19-20H,12H2,1-2H3/t14-/m0/s1
InChIKeyKHMUMKZDZPYEJL-AWEZNQCLSA-N
XLogP4.33
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(2-bromophenyl)-N-(1H-indol-7-ylmethyl)ethanamine
CID 103880973
N-(1H-indol-7-ylmethyl)-3,3-dimethylbutan-2-amine
CID 113234819
N-(1H-indol-7-ylmethyl)pentan-3-amine;hydrochloride
CID 115606795
2-(1H-indol-7-ylmethylamino)propane-1,3-diol
CID 115655450
N-(1H-indol-7-ylmethyl)-4-methylpent-1-yn-3-amine
CID 114202006
(1R)-N-(1,3-benzodioxol-4-ylmethyl)-1-(4-methylphenyl)ethanamine
CID 81349856
N-(1H-indol-6-ylmethyl)-1-(4-methylphenyl)ethanamine
CID 102910050
2-bromo-6-[[[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]phenol
CID 81350041
1-(3,5-dimethylphenyl)-N-(1H-indol-4-ylmethyl)ethanamine
CID 119125336
N-(1H-indol-7-ylmethyl)-5-methylhexan-1-amine
CID 113240682
1-(4-methylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 60944396
(1R)-1-(4-methylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 81348504

Frequently Asked Questions

What is the IUPAC name of (1S)-N-(1H-indol-7-ylmethyl)-1-(4-methylphenyl)ethanamine?
The IUPAC name of (1S)-N-(1H-indol-7-ylmethyl)-1-(4-methylphenyl)ethanamine (CID 102911524) is (1S)-N-(1H-indol-7-ylmethyl)-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for (1S)-N-(1H-indol-7-ylmethyl)-1-(4-methylphenyl)ethanamine?
The canonical SMILES for (1S)-N-(1H-indol-7-ylmethyl)-1-(4-methylphenyl)ethanamine is Cc1ccc([C@H](C)NCc2cccc3cc[nH]c23)cc1.
What is the InChIKey of (1S)-N-(1H-indol-7-ylmethyl)-1-(4-methylphenyl)ethanamine?
The InChIKey is KHMUMKZDZPYEJL-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20N2/c1-13-6-8-15(9-7-13)14(2)20-12-17-5-3-4-16-10-11-19-18(16)17/h3-11,14,19-20H,12H2,1-2H3/t14-/m0/s1.
What are the key properties of (1S)-N-(1H-indol-7-ylmethyl)-1-(4-methylphenyl)ethanamine?
(1S)-N-(1H-indol-7-ylmethyl)-1-(4-methylphenyl)ethanamine has a molecular weight of 264.37 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(1H-indol-7-ylmethyl)-1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 102911524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).