[4-[3-(1-methylpyrrolidin-3-yl)phenyl]phenyl]methanamine

C18H22N2 — CID 116988532

IUPAC[4-[3-(1-methylpyrrolidin-3-yl)phenyl]phenyl]methanamine
SMILESCN1CCC(c2cccc(-c3ccc(CN)cc3)c2)C1
InChIInChI=1S/C18H22N2/c1-20-10-9-18(13-20)17-4-2-3-16(11-17)15-7-5-14(12-19)6-8-15/h2-8,11,18H,9-10,12-13,19H2,1H3
InChIKeyKAJQDIKKKHDMLD-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.23
Rot. Bonds3

About [4-[3-(1-methylpyrrolidin-3-yl)phenyl]phenyl]methanamine

[4-[3-(1-methylpyrrolidin-3-yl)phenyl]phenyl]methanamine (PubChem CID 116988532) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is [4-[3-(1-methylpyrrolidin-3-yl)phenyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[3-(1-methylpyrrolidin-3-yl)phenyl]phenyl]methanamine
PubChem CID116988532
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name[4-[3-(1-methylpyrrolidin-3-yl)phenyl]phenyl]methanamine
SMILESCN1CCC(c2cccc(-c3ccc(CN)cc3)c2)C1
InChIInChI=1S/C18H22N2/c1-20-10-9-18(13-20)17-4-2-3-16(11-17)15-7-5-14(12-19)6-8-15/h2-8,11,18H,9-10,12-13,19H2,1H3
InChIKeyKAJQDIKKKHDMLD-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-[3-(1-methylpyrrolidin-3-yl)phenyl]propan-1-amine
CID 116988517
1-[[3-(1-methylpyrrolidin-3-yl)phenyl]methyl]cyclopropan-1-amine
CID 117333062
3-[3-(azetidin-3-yl)phenyl]-1-methylpyrrolidine
CID 116988525
CID 176580102
CID 176580102
2-[3-(1-methylpyrrolidin-3-yl)phenoxy]ethanamine
CID 115032201
O-[2-[3-(1-methylpyrrolidin-3-yl)phenyl]ethyl]hydroxylamine
CID 117314821
3-[3-(1-methylpyrrolidin-3-yl)phenoxy]propan-1-amine
CID 115040370
CID 176580101
CID 176580101
1-methyl-3-[3-(trifluoromethyl)phenyl]pyrrolidine
CID 18722940
2-[3-(1-methylpyrrolidin-3-yl)phenoxy]ethanol
CID 115032728
[4-[4-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]phenyl]methanamine
CID 116899105
[4-(1-methylazetidin-3-yl)phenyl]methanamine
CID 83827683

Frequently Asked Questions

What is the IUPAC name of [4-[3-(1-methylpyrrolidin-3-yl)phenyl]phenyl]methanamine?
The IUPAC name of [4-[3-(1-methylpyrrolidin-3-yl)phenyl]phenyl]methanamine (CID 116988532) is [4-[3-(1-methylpyrrolidin-3-yl)phenyl]phenyl]methanamine.
What is the SMILES notation for [4-[3-(1-methylpyrrolidin-3-yl)phenyl]phenyl]methanamine?
The canonical SMILES for [4-[3-(1-methylpyrrolidin-3-yl)phenyl]phenyl]methanamine is CN1CCC(c2cccc(-c3ccc(CN)cc3)c2)C1.
What is the InChIKey of [4-[3-(1-methylpyrrolidin-3-yl)phenyl]phenyl]methanamine?
The InChIKey is KAJQDIKKKHDMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-20-10-9-18(13-20)17-4-2-3-16(11-17)15-7-5-14(12-19)6-8-15/h2-8,11,18H,9-10,12-13,19H2,1H3.
What are the key properties of [4-[3-(1-methylpyrrolidin-3-yl)phenyl]phenyl]methanamine?
[4-[3-(1-methylpyrrolidin-3-yl)phenyl]phenyl]methanamine has a molecular weight of 266.39 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(1-methylpyrrolidin-3-yl)phenyl]phenyl]methanamine is sourced from PubChem (CID 116988532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).