N-[(2-methylphenyl)methyl]-1-phenyl-2-pyrrolidin-1-ylethanamine

C20H26N2 — CID 78849604

IUPACN-[(2-methylphenyl)methyl]-1-phenyl-2-pyrrolidin-1-ylethanamine
SMILESCc1ccccc1CNC(CN1CCCC1)c1ccccc1
InChIInChI=1S/C20H26N2/c1-17-9-5-6-12-19(17)15-21-20(16-22-13-7-8-14-22)18-10-3-2-4-11-18/h2-6,9-12,20-21H,7-8,13-16H2,1H3
InChIKeyXGYBGBWHJWGDGZ-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.92
Rot. Bonds6

About N-[(2-methylphenyl)methyl]-1-phenyl-2-pyrrolidin-1-ylethanamine

N-[(2-methylphenyl)methyl]-1-phenyl-2-pyrrolidin-1-ylethanamine (PubChem CID 78849604) has the molecular formula C20H26N2 and a molecular weight of 294.44 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-1-phenyl-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-1-phenyl-2-pyrrolidin-1-ylethanamine
PubChem CID78849604
Molecular FormulaC20H26N2
Molecular Weight294.44 g/mol
Exact Mass294.21
IUPAC NameN-[(2-methylphenyl)methyl]-1-phenyl-2-pyrrolidin-1-ylethanamine
SMILESCc1ccccc1CNC(CN1CCCC1)c1ccccc1
InChIInChI=1S/C20H26N2/c1-17-9-5-6-12-19(17)15-21-20(16-22-13-7-8-14-22)18-10-3-2-4-11-18/h2-6,9-12,20-21H,7-8,13-16H2,1H3
InChIKeyXGYBGBWHJWGDGZ-UHFFFAOYSA-N
XLogP3.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-N-benzyl-1-phenyl-2-piperidin-1-ylethanamine
CID 11254892
(1R)-N-ethyl-1-phenyl-2-pyrrolidin-1-ylethanamine;molecular hydrogen
CID 143114287
3-[(2-methylphenyl)methylamino]-3-phenylpropanenitrile
CID 55117724
N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]propan-1-amine
CID 58330527
2-methyl-N-[(2-methylphenyl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 54893415
N-[(3-chlorophenyl)methyl]-1-phenyl-2-pyrrolidin-1-ylethanamine
CID 78849601
1-(2-methylphenyl)-3-piperidin-1-ylpropan-2-amine
CID 82289885
N-[2-(2-methylphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 113408558
2,2-diphenyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 57190770
(1R)-N-(2-ethoxyethyl)-1-phenyl-2-piperidin-1-ylethanamine
CID 89003231
2-(azepan-1-yl)-N-[(2-methylphenyl)methyl]ethanamine
CID 60751882
2-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]phenol
CID 54953010

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-1-phenyl-2-pyrrolidin-1-ylethanamine?
The IUPAC name of N-[(2-methylphenyl)methyl]-1-phenyl-2-pyrrolidin-1-ylethanamine (CID 78849604) is N-[(2-methylphenyl)methyl]-1-phenyl-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-1-phenyl-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for N-[(2-methylphenyl)methyl]-1-phenyl-2-pyrrolidin-1-ylethanamine is Cc1ccccc1CNC(CN1CCCC1)c1ccccc1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-1-phenyl-2-pyrrolidin-1-ylethanamine?
The InChIKey is XGYBGBWHJWGDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2/c1-17-9-5-6-12-19(17)15-21-20(16-22-13-7-8-14-22)18-10-3-2-4-11-18/h2-6,9-12,20-21H,7-8,13-16H2,1H3.
What are the key properties of N-[(2-methylphenyl)methyl]-1-phenyl-2-pyrrolidin-1-ylethanamine?
N-[(2-methylphenyl)methyl]-1-phenyl-2-pyrrolidin-1-ylethanamine has a molecular weight of 294.44 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-1-phenyl-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 78849604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).