(1R)-N-(1H-indol-4-ylmethyl)-1-(2-methylphenyl)ethanamine

C18H20N2 — CID 81373106

IUPAC(1R)-N-(1H-indol-4-ylmethyl)-1-(2-methylphenyl)ethanamine
SMILESCc1ccccc1[C@@H](C)NCc1cccc2[nH]ccc12
InChIInChI=1S/C18H20N2/c1-13-6-3-4-8-16(13)14(2)20-12-15-7-5-9-18-17(15)10-11-19-18/h3-11,14,19-20H,12H2,1-2H3/t14-/m1/s1
InChIKeyCIUUSRIYMKXUGK-CQSZACIVSA-N
MW264.37 g/mol
LogP4.33
Rot. Bonds4

About (1R)-N-(1H-indol-4-ylmethyl)-1-(2-methylphenyl)ethanamine

(1R)-N-(1H-indol-4-ylmethyl)-1-(2-methylphenyl)ethanamine (PubChem CID 81373106) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is (1R)-N-(1H-indol-4-ylmethyl)-1-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-(1H-indol-4-ylmethyl)-1-(2-methylphenyl)ethanamine
PubChem CID81373106
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name(1R)-N-(1H-indol-4-ylmethyl)-1-(2-methylphenyl)ethanamine
SMILESCc1ccccc1[C@@H](C)NCc1cccc2[nH]ccc12
InChIInChI=1S/C18H20N2/c1-13-6-3-4-8-16(13)14(2)20-12-15-7-5-9-18-17(15)10-11-19-18/h3-11,14,19-20H,12H2,1-2H3/t14-/m1/s1
InChIKeyCIUUSRIYMKXUGK-CQSZACIVSA-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

1-(3,5-dimethylphenyl)-N-(1H-indol-4-ylmethyl)ethanamine
CID 119125336
3-(1H-indol-4-ylmethylamino)butan-1-ol
CID 78997696
(2R)-2-N-(1H-indol-4-ylmethyl)propane-1,2-diamine
CID 104868036
N-(1H-indol-4-ylmethyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 63001401
(1R)-N-(1H-indol-4-ylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81367023
N-(1H-indol-4-ylmethyl)-4-methoxybutan-2-amine
CID 63001738
(1S)-N-(1H-indol-4-ylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 81353840
(1S)-N-[(2-ethoxyphenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 28652621
N-(1H-indol-4-ylmethyl)-1-(3-propan-2-yloxyphenyl)ethanamine
CID 119110075
N-(1H-indol-4-ylmethyl)-2-methylpropan-1-amine
CID 17221020
N-(1H-indol-3-ylmethyl)-1-(2-methoxyphenyl)ethanamine
CID 60663811
(1R)-N-(1H-indol-3-ylmethyl)-1-(2-methoxyphenyl)ethanamine
CID 81389478

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(1H-indol-4-ylmethyl)-1-(2-methylphenyl)ethanamine?
The IUPAC name of (1R)-N-(1H-indol-4-ylmethyl)-1-(2-methylphenyl)ethanamine (CID 81373106) is (1R)-N-(1H-indol-4-ylmethyl)-1-(2-methylphenyl)ethanamine.
What is the SMILES notation for (1R)-N-(1H-indol-4-ylmethyl)-1-(2-methylphenyl)ethanamine?
The canonical SMILES for (1R)-N-(1H-indol-4-ylmethyl)-1-(2-methylphenyl)ethanamine is Cc1ccccc1[C@@H](C)NCc1cccc2[nH]ccc12.
What is the InChIKey of (1R)-N-(1H-indol-4-ylmethyl)-1-(2-methylphenyl)ethanamine?
The InChIKey is CIUUSRIYMKXUGK-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20N2/c1-13-6-3-4-8-16(13)14(2)20-12-15-7-5-9-18-17(15)10-11-19-18/h3-11,14,19-20H,12H2,1-2H3/t14-/m1/s1.
What are the key properties of (1R)-N-(1H-indol-4-ylmethyl)-1-(2-methylphenyl)ethanamine?
(1R)-N-(1H-indol-4-ylmethyl)-1-(2-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 (1R)-N-(1H-indol-4-ylmethyl)-1-(2-methylphenyl)ethanamine is sourced from PubChem (CID 81373106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).