(3S)-N-[(3-methylimidazol-4-yl)methyl]-1-phenylpyrrolidin-3-amine

C15H20N4 — CID 124546130

IUPAC(3S)-N-[(3-methylimidazol-4-yl)methyl]-1-phenylpyrrolidin-3-amine
SMILESCn1cncc1CN[C@H]1CCN(c2ccccc2)C1
InChIInChI=1S/C15H20N4/c1-18-12-16-9-15(18)10-17-13-7-8-19(11-13)14-5-3-2-4-6-14/h2-6,9,12-13,17H,7-8,10-11H2,1H3/t13-/m0/s1
InChIKeyWFHVFLRKJQGIIT-ZDUSSCGKSA-N
MW256.35 g/mol
LogP1.79
Rot. Bonds4

About (3S)-N-[(3-methylimidazol-4-yl)methyl]-1-phenylpyrrolidin-3-amine

(3S)-N-[(3-methylimidazol-4-yl)methyl]-1-phenylpyrrolidin-3-amine (PubChem CID 124546130) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is (3S)-N-[(3-methylimidazol-4-yl)methyl]-1-phenylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-N-[(3-methylimidazol-4-yl)methyl]-1-phenylpyrrolidin-3-amine
PubChem CID124546130
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name(3S)-N-[(3-methylimidazol-4-yl)methyl]-1-phenylpyrrolidin-3-amine
SMILESCn1cncc1CN[C@H]1CCN(c2ccccc2)C1
InChIInChI=1S/C15H20N4/c1-18-12-16-9-15(18)10-17-13-7-8-19(11-13)14-5-3-2-4-6-14/h2-6,9,12-13,17H,7-8,10-11H2,1H3/t13-/m0/s1
InChIKeyWFHVFLRKJQGIIT-ZDUSSCGKSA-N
XLogP1.79
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-N-[(3-methylimidazol-4-yl)methyl]-1-phenylpyrrolidin-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

1-(2,4-difluorophenyl)-N-[(3-methylimidazol-4-yl)methyl]pyrrolidin-3-amine
CID 119125088
1-(5-chloro-2-methoxyphenyl)-N-[(3-methylimidazol-4-yl)methyl]pyrrolidin-3-amine
CID 119110656
(3S)-N-[(3-methylimidazol-4-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124545122
1-tert-butyl-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine
CID 63001589
3-[(3-methylimidazol-4-yl)methylamino]-1-phenylpiperidin-2-one
CID 167896700
3,4-dimethyl-N-[(3-methylimidazol-4-yl)methyl]cyclohexan-1-amine
CID 66117502
6-[4-[(3-methylimidazol-4-yl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile
CID 119110743
N-[(3-methylimidazol-4-yl)methyl]-2-phenylcyclopropan-1-amine
CID 63001278
N-[(4-chlorophenyl)methyl]-1-phenylpyrrolidin-3-amine
CID 66854515
1-[(4-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine
CID 119109850
1-[(2,6-difluorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]piperidin-3-amine
CID 119128794
1-phenyl-N-(1,3-thiazol-5-ylmethyl)piperidin-4-amine
CID 103792728

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(3-methylimidazol-4-yl)methyl]-1-phenylpyrrolidin-3-amine?
The IUPAC name of (3S)-N-[(3-methylimidazol-4-yl)methyl]-1-phenylpyrrolidin-3-amine (CID 124546130) is (3S)-N-[(3-methylimidazol-4-yl)methyl]-1-phenylpyrrolidin-3-amine.
What is the SMILES notation for (3S)-N-[(3-methylimidazol-4-yl)methyl]-1-phenylpyrrolidin-3-amine?
The canonical SMILES for (3S)-N-[(3-methylimidazol-4-yl)methyl]-1-phenylpyrrolidin-3-amine is Cn1cncc1CN[C@H]1CCN(c2ccccc2)C1.
What is the InChIKey of (3S)-N-[(3-methylimidazol-4-yl)methyl]-1-phenylpyrrolidin-3-amine?
The InChIKey is WFHVFLRKJQGIIT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N4/c1-18-12-16-9-15(18)10-17-13-7-8-19(11-13)14-5-3-2-4-6-14/h2-6,9,12-13,17H,7-8,10-11H2,1H3/t13-/m0/s1.
What are the key properties of (3S)-N-[(3-methylimidazol-4-yl)methyl]-1-phenylpyrrolidin-3-amine?
(3S)-N-[(3-methylimidazol-4-yl)methyl]-1-phenylpyrrolidin-3-amine has a molecular weight of 256.35 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(3-methylimidazol-4-yl)methyl]-1-phenylpyrrolidin-3-amine is sourced from PubChem (CID 124546130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).