N-(1H-indol-4-ylmethyl)-1-(1-phenylpyrrolidin-3-yl)methanamine

C20H23N3 — CID 119110013

IUPACN-(1H-indol-4-ylmethyl)-1-(1-phenylpyrrolidin-3-yl)methanamine
SMILESc1ccc(N2CCC(CNCc3cccc4[nH]ccc34)C2)cc1
InChIInChI=1S/C20H23N3/c1-2-6-18(7-3-1)23-12-10-16(15-23)13-21-14-17-5-4-8-20-19(17)9-11-22-20/h1-9,11,16,21-22H,10,12-15H2
InChIKeySNYQUYMJVZFZCW-UHFFFAOYSA-N
MW305.43 g/mol
LogP3.78
Rot. Bonds5

About N-(1H-indol-4-ylmethyl)-1-(1-phenylpyrrolidin-3-yl)methanamine

N-(1H-indol-4-ylmethyl)-1-(1-phenylpyrrolidin-3-yl)methanamine (PubChem CID 119110013) has the molecular formula C20H23N3 and a molecular weight of 305.43 g/mol. Its IUPAC name is N-(1H-indol-4-ylmethyl)-1-(1-phenylpyrrolidin-3-yl)methanamine.

Molecular Properties

Compound NameN-(1H-indol-4-ylmethyl)-1-(1-phenylpyrrolidin-3-yl)methanamine
PubChem CID119110013
Molecular FormulaC20H23N3
Molecular Weight305.43 g/mol
Exact Mass305.19
IUPAC NameN-(1H-indol-4-ylmethyl)-1-(1-phenylpyrrolidin-3-yl)methanamine
SMILESc1ccc(N2CCC(CNCc3cccc4[nH]ccc34)C2)cc1
InChIInChI=1S/C20H23N3/c1-2-6-18(7-3-1)23-12-10-16(15-23)13-21-14-17-5-4-8-20-19(17)9-11-22-20/h1-9,11,16,21-22H,10,12-15H2
InChIKeySNYQUYMJVZFZCW-UHFFFAOYSA-N
XLogP3.78
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-indol-4-ylmethyl)-1-[1-(3-methoxyphenyl)pyrrolidin-3-yl]methanamine
CID 119110654
N-(1H-indol-4-ylmethyl)-1-(1-methylpiperidin-4-yl)methanamine
CID 63378381
4-[(1H-indol-4-ylmethylamino)methyl]cyclohexan-1-ol
CID 106125391
1-cyclobutyl-N-(1H-indol-3-ylmethyl)methanamine
CID 62332415
N-cyclopropyl-2-(1H-indol-4-ylmethylamino)acetamide
CID 63000574
N-methyl-1-[(3R)-1-phenylpyrrolidin-3-yl]methanamine
CID 42258344
N-[(2-chlorophenyl)methyl]-1-[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methanamine
CID 97000762
2-(1H-indol-4-ylmethylamino)ethanol
CID 53269747
8-fluoro-2-[[[(3S)-1-phenylpyrrolidin-3-yl]methylamino]methyl]-1H-quinolin-4-one
CID 97156066
N-(1H-indol-4-ylmethyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 63002106
2-oxo-N-[(1-phenylpyrrolidin-3-yl)methyl]-1H-pyridine-3-carboxamide
CID 46403357
2-(1H-indol-3-yl)-N-(1H-indol-4-ylmethyl)ethanamine
CID 17221038

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-4-ylmethyl)-1-(1-phenylpyrrolidin-3-yl)methanamine?
The IUPAC name of N-(1H-indol-4-ylmethyl)-1-(1-phenylpyrrolidin-3-yl)methanamine (CID 119110013) is N-(1H-indol-4-ylmethyl)-1-(1-phenylpyrrolidin-3-yl)methanamine.
What is the SMILES notation for N-(1H-indol-4-ylmethyl)-1-(1-phenylpyrrolidin-3-yl)methanamine?
The canonical SMILES for N-(1H-indol-4-ylmethyl)-1-(1-phenylpyrrolidin-3-yl)methanamine is c1ccc(N2CCC(CNCc3cccc4[nH]ccc34)C2)cc1.
What is the InChIKey of N-(1H-indol-4-ylmethyl)-1-(1-phenylpyrrolidin-3-yl)methanamine?
The InChIKey is SNYQUYMJVZFZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3/c1-2-6-18(7-3-1)23-12-10-16(15-23)13-21-14-17-5-4-8-20-19(17)9-11-22-20/h1-9,11,16,21-22H,10,12-15H2.
What are the key properties of N-(1H-indol-4-ylmethyl)-1-(1-phenylpyrrolidin-3-yl)methanamine?
N-(1H-indol-4-ylmethyl)-1-(1-phenylpyrrolidin-3-yl)methanamine has a molecular weight of 305.43 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-4-ylmethyl)-1-(1-phenylpyrrolidin-3-yl)methanamine is sourced from PubChem (CID 119110013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).