[1-methyl-5-(3-phenylphenyl)pyrrolidin-3-yl]methanamine

C18H22N2 — CID 117420358

IUPAC[1-methyl-5-(3-phenylphenyl)pyrrolidin-3-yl]methanamine
SMILESCN1CC(CN)CC1c1cccc(-c2ccccc2)c1
InChIInChI=1S/C18H22N2/c1-20-13-14(12-19)10-18(20)17-9-5-8-16(11-17)15-6-3-2-4-7-15/h2-9,11,14,18H,10,12-13,19H2,1H3
InChIKeyRPCLGCYXKONSMJ-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.31
Rot. Bonds3

About [1-methyl-5-(3-phenylphenyl)pyrrolidin-3-yl]methanamine

[1-methyl-5-(3-phenylphenyl)pyrrolidin-3-yl]methanamine (PubChem CID 117420358) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is [1-methyl-5-(3-phenylphenyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-methyl-5-(3-phenylphenyl)pyrrolidin-3-yl]methanamine
PubChem CID117420358
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name[1-methyl-5-(3-phenylphenyl)pyrrolidin-3-yl]methanamine
SMILESCN1CC(CN)CC1c1cccc(-c2ccccc2)c1
InChIInChI=1S/C18H22N2/c1-20-13-14(12-19)10-18(20)17-9-5-8-16(11-17)15-6-3-2-4-7-15/h2-9,11,14,18H,10,12-13,19H2,1H3
InChIKeyRPCLGCYXKONSMJ-UHFFFAOYSA-N
XLogP3.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-5-(3-phenylphenyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-methyl-5-(3-phenylphenyl)pyrrolidin-3-yl]methanamine (CID 117420358) is [1-methyl-5-(3-phenylphenyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-methyl-5-(3-phenylphenyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-methyl-5-(3-phenylphenyl)pyrrolidin-3-yl]methanamine is CN1CC(CN)CC1c1cccc(-c2ccccc2)c1.
What is the InChIKey of [1-methyl-5-(3-phenylphenyl)pyrrolidin-3-yl]methanamine?
The InChIKey is RPCLGCYXKONSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-20-13-14(12-19)10-18(20)17-9-5-8-16(11-17)15-6-3-2-4-7-15/h2-9,11,14,18H,10,12-13,19H2,1H3.
What are the key properties of [1-methyl-5-(3-phenylphenyl)pyrrolidin-3-yl]methanamine?
[1-methyl-5-(3-phenylphenyl)pyrrolidin-3-yl]methanamine has a molecular weight of 266.39 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-5-(3-phenylphenyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 117420358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).