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

C19H22Cl2N2 — CID 11674680

IUPACN-benzyl-N-[(2,4-dichlorophenyl)methyl]-1-[(3S)-pyrrolidin-3-yl]methanamine
SMILESClc1ccc(CN(Cc2ccccc2)C[C@H]2CCNC2)c(Cl)c1
InChIInChI=1S/C19H22Cl2N2/c20-18-7-6-17(19(21)10-18)14-23(13-16-8-9-22-11-16)12-15-4-2-1-3-5-15/h1-7,10,16,22H,8-9,11-14H2/t16-/m0/s1
InChIKeyUZEGOKTWNBRRSY-INIZCTEOSA-N
MW349.31 g/mol
LogP4.61
Rot. Bonds6

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

N-benzyl-N-[(2,4-dichlorophenyl)methyl]-1-[(3S)-pyrrolidin-3-yl]methanamine (PubChem CID 11674680) has the molecular formula C19H22Cl2N2 and a molecular weight of 349.31 g/mol. Its IUPAC name is N-benzyl-N-[(2,4-dichlorophenyl)methyl]-1-[(3S)-pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound NameN-benzyl-N-[(2,4-dichlorophenyl)methyl]-1-[(3S)-pyrrolidin-3-yl]methanamine
PubChem CID11674680
Molecular FormulaC19H22Cl2N2
Molecular Weight349.31 g/mol
Exact Mass348.12
IUPAC NameN-benzyl-N-[(2,4-dichlorophenyl)methyl]-1-[(3S)-pyrrolidin-3-yl]methanamine
SMILESClc1ccc(CN(Cc2ccccc2)C[C@H]2CCNC2)c(Cl)c1
InChIInChI=1S/C19H22Cl2N2/c20-18-7-6-17(19(21)10-18)14-23(13-16-8-9-22-11-16)12-15-4-2-1-3-5-15/h1-7,10,16,22H,8-9,11-14H2/t16-/m0/s1
InChIKeyUZEGOKTWNBRRSY-INIZCTEOSA-N
XLogP4.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-benzyl-N-[(2,4-dichlorophenyl)methyl]-1-[(3S)-pyrrolidin-3-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

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(2,4-dichlorophenyl)methyl]-1-[(3S)-pyrrolidin-3-yl]methanamine?
The IUPAC name of N-benzyl-N-[(2,4-dichlorophenyl)methyl]-1-[(3S)-pyrrolidin-3-yl]methanamine (CID 11674680) is N-benzyl-N-[(2,4-dichlorophenyl)methyl]-1-[(3S)-pyrrolidin-3-yl]methanamine.
What is the SMILES notation for N-benzyl-N-[(2,4-dichlorophenyl)methyl]-1-[(3S)-pyrrolidin-3-yl]methanamine?
The canonical SMILES for N-benzyl-N-[(2,4-dichlorophenyl)methyl]-1-[(3S)-pyrrolidin-3-yl]methanamine is Clc1ccc(CN(Cc2ccccc2)C[C@H]2CCNC2)c(Cl)c1.
What is the InChIKey of N-benzyl-N-[(2,4-dichlorophenyl)methyl]-1-[(3S)-pyrrolidin-3-yl]methanamine?
The InChIKey is UZEGOKTWNBRRSY-INIZCTEOSA-N. The full InChI is InChI=1S/C19H22Cl2N2/c20-18-7-6-17(19(21)10-18)14-23(13-16-8-9-22-11-16)12-15-4-2-1-3-5-15/h1-7,10,16,22H,8-9,11-14H2/t16-/m0/s1.
What are the key properties of N-benzyl-N-[(2,4-dichlorophenyl)methyl]-1-[(3S)-pyrrolidin-3-yl]methanamine?
N-benzyl-N-[(2,4-dichlorophenyl)methyl]-1-[(3S)-pyrrolidin-3-yl]methanamine has a molecular weight of 349.31 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(2,4-dichlorophenyl)methyl]-1-[(3S)-pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 11674680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).