N-[(4-methylphenyl)methyl]-1-[(2S)-pyrrolidin-2-yl]methanamine

C13H20N2 — CID 86319081

IUPACN-[(4-methylphenyl)methyl]-1-[(2S)-pyrrolidin-2-yl]methanamine
SMILESCc1ccc(CNC[C@@H]2CCCN2)cc1
InChIInChI=1S/C13H20N2/c1-11-4-6-12(7-5-11)9-14-10-13-3-2-8-15-13/h4-7,13-15H,2-3,8-10H2,1H3/t13-/m0/s1
InChIKeySXANIIIGZZUZJR-ZDUSSCGKSA-N
MW204.32 g/mol
LogP1.84
Rot. Bonds4

About N-[(4-methylphenyl)methyl]-1-[(2S)-pyrrolidin-2-yl]methanamine

N-[(4-methylphenyl)methyl]-1-[(2S)-pyrrolidin-2-yl]methanamine (PubChem CID 86319081) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-1-[(2S)-pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-1-[(2S)-pyrrolidin-2-yl]methanamine
PubChem CID86319081
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN-[(4-methylphenyl)methyl]-1-[(2S)-pyrrolidin-2-yl]methanamine
SMILESCc1ccc(CNC[C@@H]2CCCN2)cc1
InChIInChI=1S/C13H20N2/c1-11-4-6-12(7-5-11)9-14-10-13-3-2-8-15-13/h4-7,13-15H,2-3,8-10H2,1H3/t13-/m0/s1
InChIKeySXANIIIGZZUZJR-ZDUSSCGKSA-N
XLogP1.84
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluorophenyl)methyl]-1-[(2S)-pyrrolidin-2-yl]methanamine
CID 86329810
N-[(4-fluorophenyl)methyl]-1-[(2R)-pyrrolidin-2-yl]methanamine
CID 86329812
N-[(4-propylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 115208236
N-[(4-ethoxyphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 115208247
2-[(4-methylphenyl)methyl]pyrrolidine
CID 3510571
N-[(2,4-dimethylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 115208233
N-[(3,4-dichlorophenyl)methyl]-1-[(2R)-pyrrolidin-2-yl]methanamine
CID 86329577
1-cyclobutyl-N-[(4-methylphenyl)methyl]methanamine
CID 43298526
N-[(4-ethoxy-3-methylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 115208258
(2R)-2-[(4-methylphenyl)methyl]piperidine
CID 7048103
N-[[4-[3-(difluoromethyl)phenyl]phenyl]methyl]-1-pyrrolidin-2-ylmethanamine
CID 139506324
N-[(4-methylphenyl)methyl]-1-piperidin-2-ylpropan-2-amine
CID 79548722

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-1-[(2S)-pyrrolidin-2-yl]methanamine?
The IUPAC name of N-[(4-methylphenyl)methyl]-1-[(2S)-pyrrolidin-2-yl]methanamine (CID 86319081) is N-[(4-methylphenyl)methyl]-1-[(2S)-pyrrolidin-2-yl]methanamine.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-1-[(2S)-pyrrolidin-2-yl]methanamine?
The canonical SMILES for N-[(4-methylphenyl)methyl]-1-[(2S)-pyrrolidin-2-yl]methanamine is Cc1ccc(CNC[C@@H]2CCCN2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-1-[(2S)-pyrrolidin-2-yl]methanamine?
The InChIKey is SXANIIIGZZUZJR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H20N2/c1-11-4-6-12(7-5-11)9-14-10-13-3-2-8-15-13/h4-7,13-15H,2-3,8-10H2,1H3/t13-/m0/s1.
What are the key properties of N-[(4-methylphenyl)methyl]-1-[(2S)-pyrrolidin-2-yl]methanamine?
N-[(4-methylphenyl)methyl]-1-[(2S)-pyrrolidin-2-yl]methanamine has a molecular weight of 204.32 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-1-[(2S)-pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 86319081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).