N-(1H-indol-3-ylmethyl)-N-methyl-1-phenylmethanamine

C17H18N2 — CID 659062

IUPACN-(1H-indol-3-ylmethyl)-N-methyl-1-phenylmethanamine
SMILESCN(Cc1ccccc1)Cc1c[nH]c2ccccc12
InChIInChI=1S/C17H18N2/c1-19(12-14-7-3-2-4-8-14)13-15-11-18-17-10-6-5-9-16(15)17/h2-11,18H,12-13H2,1H3
InChIKeyHDZOBZVWWSWEGP-UHFFFAOYSA-N
MW250.35 g/mol
LogP3.80
Rot. Bonds4

About N-(1H-indol-3-ylmethyl)-N-methyl-1-phenylmethanamine

N-(1H-indol-3-ylmethyl)-N-methyl-1-phenylmethanamine (PubChem CID 659062) has the molecular formula C17H18N2 and a molecular weight of 250.35 g/mol. Its IUPAC name is N-(1H-indol-3-ylmethyl)-N-methyl-1-phenylmethanamine.

Molecular Properties

Compound NameN-(1H-indol-3-ylmethyl)-N-methyl-1-phenylmethanamine
PubChem CID659062
Molecular FormulaC17H18N2
Molecular Weight250.35 g/mol
Exact Mass250.15
IUPAC NameN-(1H-indol-3-ylmethyl)-N-methyl-1-phenylmethanamine
SMILESCN(Cc1ccccc1)Cc1c[nH]c2ccccc12
InChIInChI=1S/C17H18N2/c1-19(12-14-7-3-2-4-8-14)13-15-11-18-17-10-6-5-9-16(15)17/h2-11,18H,12-13H2,1H3
InChIKeyHDZOBZVWWSWEGP-UHFFFAOYSA-N
XLogP3.80
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-3-ylmethyl)-N-methyl-1-phenylmethanamine?
The IUPAC name of N-(1H-indol-3-ylmethyl)-N-methyl-1-phenylmethanamine (CID 659062) is N-(1H-indol-3-ylmethyl)-N-methyl-1-phenylmethanamine.
What is the SMILES notation for N-(1H-indol-3-ylmethyl)-N-methyl-1-phenylmethanamine?
The canonical SMILES for N-(1H-indol-3-ylmethyl)-N-methyl-1-phenylmethanamine is CN(Cc1ccccc1)Cc1c[nH]c2ccccc12.
What is the InChIKey of N-(1H-indol-3-ylmethyl)-N-methyl-1-phenylmethanamine?
The InChIKey is HDZOBZVWWSWEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2/c1-19(12-14-7-3-2-4-8-14)13-15-11-18-17-10-6-5-9-16(15)17/h2-11,18H,12-13H2,1H3.
What are the key properties of N-(1H-indol-3-ylmethyl)-N-methyl-1-phenylmethanamine?
N-(1H-indol-3-ylmethyl)-N-methyl-1-phenylmethanamine has a molecular weight of 250.35 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-3-ylmethyl)-N-methyl-1-phenylmethanamine is sourced from PubChem (CID 659062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).