N-methyl-1-(4-phenylphenyl)-1-pyrrolidin-2-ylmethanamine

C18H22N2 — CID 116950906

IUPACN-methyl-1-(4-phenylphenyl)-1-pyrrolidin-2-ylmethanamine
SMILESCNC(c1ccc(-c2ccccc2)cc1)C1CCCN1
InChIInChI=1S/C18H22N2/c1-19-18(17-8-5-13-20-17)16-11-9-15(10-12-16)14-6-3-2-4-7-14/h2-4,6-7,9-12,17-20H,5,8,13H2,1H3
InChIKeyITTRXIDEQNFKCI-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.37
Rot. Bonds4

About N-methyl-1-(4-phenylphenyl)-1-pyrrolidin-2-ylmethanamine

N-methyl-1-(4-phenylphenyl)-1-pyrrolidin-2-ylmethanamine (PubChem CID 116950906) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is N-methyl-1-(4-phenylphenyl)-1-pyrrolidin-2-ylmethanamine.

Molecular Properties

Compound NameN-methyl-1-(4-phenylphenyl)-1-pyrrolidin-2-ylmethanamine
PubChem CID116950906
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC NameN-methyl-1-(4-phenylphenyl)-1-pyrrolidin-2-ylmethanamine
SMILESCNC(c1ccc(-c2ccccc2)cc1)C1CCCN1
InChIInChI=1S/C18H22N2/c1-19-18(17-8-5-13-20-17)16-11-9-15(10-12-16)14-6-3-2-4-7-14/h2-4,6-7,9-12,17-20H,5,8,13H2,1H3
InChIKeyITTRXIDEQNFKCI-UHFFFAOYSA-N
XLogP3.37
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N-methyl-1-phenyl-1-[(2S)-pyrrolidin-2-yl]methanamine
CID 132599012
N-methyl-1-(3-methylphenyl)-1-pyrrolidin-2-ylmethanamine
CID 116950968
N-methyl-1-(6-methylnaphthalen-2-yl)-1-pyrrolidin-2-ylmethanamine
CID 116950987
(2R)-2-[(1R)-1-phenylethyl]pyrrolidine
CID 95732426
1-(3-chloro-4-fluorophenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 116950939
1-(3-bromo-4-methoxyphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 116950896
(2R)-2-[bis(3-phenylphenyl)methyl]pyrrolidine
CID 59628779
1-(1-benzothiophen-3-yl)-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 116950981
[4-[(4-phenylphenyl)-pyrrolidin-2-ylmethyl]phenyl]methylidenephosphane
CID 146983386
N-methyl-1-naphthalen-1-yl-1-piperidin-2-ylmethanamine
CID 116951227
1-(3-chloro-4-methoxyphenyl)-N-methyl-1-piperidin-2-ylmethanamine
CID 116951150
1-(2,4-dimethylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 116950884

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-phenylphenyl)-1-pyrrolidin-2-ylmethanamine?
The IUPAC name of N-methyl-1-(4-phenylphenyl)-1-pyrrolidin-2-ylmethanamine (CID 116950906) is N-methyl-1-(4-phenylphenyl)-1-pyrrolidin-2-ylmethanamine.
What is the SMILES notation for N-methyl-1-(4-phenylphenyl)-1-pyrrolidin-2-ylmethanamine?
The canonical SMILES for N-methyl-1-(4-phenylphenyl)-1-pyrrolidin-2-ylmethanamine is CNC(c1ccc(-c2ccccc2)cc1)C1CCCN1.
What is the InChIKey of N-methyl-1-(4-phenylphenyl)-1-pyrrolidin-2-ylmethanamine?
The InChIKey is ITTRXIDEQNFKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-19-18(17-8-5-13-20-17)16-11-9-15(10-12-16)14-6-3-2-4-7-14/h2-4,6-7,9-12,17-20H,5,8,13H2,1H3.
What are the key properties of N-methyl-1-(4-phenylphenyl)-1-pyrrolidin-2-ylmethanamine?
N-methyl-1-(4-phenylphenyl)-1-pyrrolidin-2-ylmethanamine has a molecular weight of 266.39 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-phenylphenyl)-1-pyrrolidin-2-ylmethanamine is sourced from PubChem (CID 116950906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).