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

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Related Compounds

N,N'-(Cyclohexane-1,4-diylbis(methylene))bis(1-(2-chlorophenyl)methanamine)--hydrogen chloride (1/2)
CID 9704
N,N'-(Cyclohexane-1,4-diylbis(methylene))bis(1-(2-chlorophenyl)methanamine)
CID 9705
N-(2-chlorobenzyl)-1-phenylpropan-2-amine hydrochloride
CID 160796
Benzenemethanamine, 2,4-dichloro-N-methyl-
CID 485424
Benzyl-(4-chloro-benzyl)-amine
CID 816344
1-benzyl-N-[(4-chlorophenyl)methyl]piperidin-4-amine
CID 784405
1-benzyl-N-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 4880709
{3-[Benzyl(methyl)amino]propyl}[(4-chlorophenyl)methyl]amine
CID 29048070
N-[(2-chlorophenyl)methyl]-1-[4-[[(2-chlorophenyl)methylamino]methyl]cyclohexyl]methanamine;tetrahydrochloride
CID 90664498
1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-[(3-methylphenyl)methyl]methanamine
CID 155523400
Clobenzorex hydrochloride
CID 71314913
[(2,4-Dichlorophenyl)methyl](methyl)amine hydrochloride
CID 17290678

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).