2-methyl-1-[(3-phenoxyphenyl)methyl]pyrrolidin-3-amine

C18H22N2O — CID 174891320

IUPAC2-methyl-1-[(3-phenoxyphenyl)methyl]pyrrolidin-3-amine
SMILESCC1C(N)CCN1Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C18H22N2O/c1-14-18(19)10-11-20(14)13-15-6-5-9-17(12-15)21-16-7-3-2-4-8-16/h2-9,12,14,18H,10-11,13,19H2,1H3
InChIKeyCUXAZOQAKPRQCF-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.40
Rot. Bonds4

About 2-methyl-1-[(3-phenoxyphenyl)methyl]pyrrolidin-3-amine

2-methyl-1-[(3-phenoxyphenyl)methyl]pyrrolidin-3-amine (PubChem CID 174891320) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-methyl-1-[(3-phenoxyphenyl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name2-methyl-1-[(3-phenoxyphenyl)methyl]pyrrolidin-3-amine
PubChem CID174891320
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name2-methyl-1-[(3-phenoxyphenyl)methyl]pyrrolidin-3-amine
SMILESCC1C(N)CCN1Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C18H22N2O/c1-14-18(19)10-11-20(14)13-15-6-5-9-17(12-15)21-16-7-3-2-4-8-16/h2-9,12,14,18H,10-11,13,19H2,1H3
InChIKeyCUXAZOQAKPRQCF-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-1-[(3-phenoxyphenyl)methyl]pyrrolidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-1-[(3-phenoxyphenyl)methyl]piperidin-4-amine;hydrochloride
CID 119925173
1-benzyl-4-[(3-phenoxyphenyl)methyl]piperazine
CID 1376909
ethyl 1-[(3-phenoxyphenyl)methyl]piperidine-2-carboxylate
CID 2838010
2-[(3-phenoxyphenyl)methyl]cyclohexan-1-amine
CID 82185960
(2S,6R)-2,6-dimethyl-4-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]morpholine
CID 7344375
2-(1-benzyl-2-methylpyrrolidin-3-yl)ethanamine
CID 83849332
1-(2-methylpropyl)-4-[(3-phenoxyphenyl)methyl]piperazine
CID 175322181
1-benzyl-3-chloro-2-methylpyrrolidine
CID 67849385
N-ethyl-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpiperidin-4-amine
CID 79396800
2-[methyl-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid
CID 122042964
(2R,3R)-1-benzyl-3-fluoro-2-methylpyrrolidine
CID 126557725
(2S,3R)-1-benzyl-3-fluoro-2-methylpyrrolidine
CID 126524305

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(3-phenoxyphenyl)methyl]pyrrolidin-3-amine?
The IUPAC name of 2-methyl-1-[(3-phenoxyphenyl)methyl]pyrrolidin-3-amine (CID 174891320) is 2-methyl-1-[(3-phenoxyphenyl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for 2-methyl-1-[(3-phenoxyphenyl)methyl]pyrrolidin-3-amine?
The canonical SMILES for 2-methyl-1-[(3-phenoxyphenyl)methyl]pyrrolidin-3-amine is CC1C(N)CCN1Cc1cccc(Oc2ccccc2)c1.
What is the InChIKey of 2-methyl-1-[(3-phenoxyphenyl)methyl]pyrrolidin-3-amine?
The InChIKey is CUXAZOQAKPRQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-14-18(19)10-11-20(14)13-15-6-5-9-17(12-15)21-16-7-3-2-4-8-16/h2-9,12,14,18H,10-11,13,19H2,1H3.
What are the key properties of 2-methyl-1-[(3-phenoxyphenyl)methyl]pyrrolidin-3-amine?
2-methyl-1-[(3-phenoxyphenyl)methyl]pyrrolidin-3-amine has a molecular weight of 282.39 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(3-phenoxyphenyl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 174891320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).