N-[(3,4-dichlorophenyl)methyl]-1-[(2R)-pyrrolidin-2-yl]methanamine

C12H16Cl2N2 — CID 86329577

IUPACN-[(3,4-dichlorophenyl)methyl]-1-[(2R)-pyrrolidin-2-yl]methanamine
SMILESClc1ccc(CNC[C@H]2CCCN2)cc1Cl
InChIInChI=1S/C12H16Cl2N2/c13-11-4-3-9(6-12(11)14)7-15-8-10-2-1-5-16-10/h3-4,6,10,15-16H,1-2,5,7-8H2/t10-/m1/s1
InChIKeyAXETWNRBRJMSOP-SNVBAGLBSA-N
MW259.18 g/mol
LogP2.84
Rot. Bonds4

About N-[(3,4-dichlorophenyl)methyl]-1-[(2R)-pyrrolidin-2-yl]methanamine

N-[(3,4-dichlorophenyl)methyl]-1-[(2R)-pyrrolidin-2-yl]methanamine (PubChem CID 86329577) has the molecular formula C12H16Cl2N2 and a molecular weight of 259.18 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-1-[(2R)-pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-1-[(2R)-pyrrolidin-2-yl]methanamine
PubChem CID86329577
Molecular FormulaC12H16Cl2N2
Molecular Weight259.18 g/mol
Exact Mass258.07
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-1-[(2R)-pyrrolidin-2-yl]methanamine
SMILESClc1ccc(CNC[C@H]2CCCN2)cc1Cl
InChIInChI=1S/C12H16Cl2N2/c13-11-4-3-9(6-12(11)14)7-15-8-10-2-1-5-16-10/h3-4,6,10,15-16H,1-2,5,7-8H2/t10-/m1/s1
InChIKeyAXETWNRBRJMSOP-SNVBAGLBSA-N
XLogP2.84
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.18
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(3,4-dichlorophenyl)methyl]-1-[(2R)-pyrrolidin-2-yl]methanamine 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-[(3,4-dichlorophenyl)methyl]-3-[[(2S)-pyrrolidin-2-yl]methyl]urea;formic acid
CID 154908582
N-[(4-fluorophenyl)methyl]-1-[(2S)-pyrrolidin-2-yl]methanamine
CID 86329810
N-[(4-fluorophenyl)methyl]-1-[(2R)-pyrrolidin-2-yl]methanamine
CID 86329812
2-(3,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 63045287
N-[(4-methylphenyl)methyl]-1-[(2S)-pyrrolidin-2-yl]methanamine
CID 86319081
2-(4-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine
CID 68725719
(2S)-2-[(3,4-dichlorophenyl)methoxymethyl]pyrrolidine
CID 35754010
[3-[(pyrrolidin-2-ylmethylamino)methyl]phenyl]methanol
CID 107229692
N-[(4-propylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 115208236
N-[(3,4-dichlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 7324570
N-[(4-ethoxy-3-methylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 115208258
N-[(2-chlorophenyl)methyl]-1-[(2R)-piperidin-2-yl]methanamine
CID 95731898

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-1-[(2R)-pyrrolidin-2-yl]methanamine?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-1-[(2R)-pyrrolidin-2-yl]methanamine (CID 86329577) is N-[(3,4-dichlorophenyl)methyl]-1-[(2R)-pyrrolidin-2-yl]methanamine.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-1-[(2R)-pyrrolidin-2-yl]methanamine?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-1-[(2R)-pyrrolidin-2-yl]methanamine is Clc1ccc(CNC[C@H]2CCCN2)cc1Cl.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-1-[(2R)-pyrrolidin-2-yl]methanamine?
The InChIKey is AXETWNRBRJMSOP-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H16Cl2N2/c13-11-4-3-9(6-12(11)14)7-15-8-10-2-1-5-16-10/h3-4,6,10,15-16H,1-2,5,7-8H2/t10-/m1/s1.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-1-[(2R)-pyrrolidin-2-yl]methanamine?
N-[(3,4-dichlorophenyl)methyl]-1-[(2R)-pyrrolidin-2-yl]methanamine has a molecular weight of 259.18 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-1-[(2R)-pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 86329577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).