[4-methoxy-2-(3-phenylpyrrolidin-1-yl)phenyl]methanamine

C18H22N2O — CID 81296527

IUPAC[4-methoxy-2-(3-phenylpyrrolidin-1-yl)phenyl]methanamine
SMILESCOc1ccc(CN)c(N2CCC(c3ccccc3)C2)c1
InChIInChI=1S/C18H22N2O/c1-21-17-8-7-15(12-19)18(11-17)20-10-9-16(13-20)14-5-3-2-4-6-14/h2-8,11,16H,9-10,12-13,19H2,1H3
InChIKeyFJOALWYFPBUSRZ-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.15
Rot. Bonds4

About [4-methoxy-2-(3-phenylpyrrolidin-1-yl)phenyl]methanamine

[4-methoxy-2-(3-phenylpyrrolidin-1-yl)phenyl]methanamine (PubChem CID 81296527) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is [4-methoxy-2-(3-phenylpyrrolidin-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-methoxy-2-(3-phenylpyrrolidin-1-yl)phenyl]methanamine
PubChem CID81296527
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name[4-methoxy-2-(3-phenylpyrrolidin-1-yl)phenyl]methanamine
SMILESCOc1ccc(CN)c(N2CCC(c3ccccc3)C2)c1
InChIInChI=1S/C18H22N2O/c1-21-17-8-7-15(12-19)18(11-17)20-10-9-16(13-20)14-5-3-2-4-6-14/h2-8,11,16H,9-10,12-13,19H2,1H3
InChIKeyFJOALWYFPBUSRZ-UHFFFAOYSA-N
XLogP3.15
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-4-methoxyphenyl]methanamine
CID 81299524
[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-4-methoxyphenyl]methanamine
CID 81299811
[2-(2-ethylmorpholin-4-yl)-4-methoxyphenyl]methanamine
CID 81299705
[4-methoxy-2-(2-methylmorpholin-4-yl)phenyl]methanamine
CID 81298189
2-[2-(aminomethyl)-5-methoxyphenyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82856938
N-[(4-methoxyphenyl)methyl]-2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-amine
CID 25116797
4-methyl-3-(3-phenylpyrrolidin-1-yl)aniline
CID 62589445
[2-(2-cyclopentylpyrrolidin-1-yl)-4-methoxyphenyl]methanamine
CID 81298987
[2-(3-methoxypyrrolidin-1-yl)-4-methylphenyl]methanamine
CID 103530729
[4-methoxy-2-(2-pyridin-4-ylpyrrolidin-1-yl)phenyl]methanamine
CID 81296520
4-[2-(aminomethyl)-5-methoxyphenyl]-1-methyl-1,4-diazepan-2-one
CID 102888419
1-[2-(aminomethyl)-5-methoxyphenyl]-1,4-diazepan-5-one
CID 81299535

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-2-(3-phenylpyrrolidin-1-yl)phenyl]methanamine?
The IUPAC name of [4-methoxy-2-(3-phenylpyrrolidin-1-yl)phenyl]methanamine (CID 81296527) is [4-methoxy-2-(3-phenylpyrrolidin-1-yl)phenyl]methanamine.
What is the SMILES notation for [4-methoxy-2-(3-phenylpyrrolidin-1-yl)phenyl]methanamine?
The canonical SMILES for [4-methoxy-2-(3-phenylpyrrolidin-1-yl)phenyl]methanamine is COc1ccc(CN)c(N2CCC(c3ccccc3)C2)c1.
What is the InChIKey of [4-methoxy-2-(3-phenylpyrrolidin-1-yl)phenyl]methanamine?
The InChIKey is FJOALWYFPBUSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-21-17-8-7-15(12-19)18(11-17)20-10-9-16(13-20)14-5-3-2-4-6-14/h2-8,11,16H,9-10,12-13,19H2,1H3.
What are the key properties of [4-methoxy-2-(3-phenylpyrrolidin-1-yl)phenyl]methanamine?
[4-methoxy-2-(3-phenylpyrrolidin-1-yl)phenyl]methanamine has a molecular weight of 282.39 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-2-(3-phenylpyrrolidin-1-yl)phenyl]methanamine is sourced from PubChem (CID 81296527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).