1-benzyl-4-(3,5-dichlorophenyl)pyrrolidin-3-amine

C17H18Cl2N2 — CID 131117119

IUPAC1-benzyl-4-(3,5-dichlorophenyl)pyrrolidin-3-amine
SMILESNC1CN(Cc2ccccc2)CC1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H18Cl2N2/c18-14-6-13(7-15(19)8-14)16-10-21(11-17(16)20)9-12-4-2-1-3-5-12/h1-8,16-17H,9-11,20H2
InChIKeyUKSUTJYVEPVVNY-UHFFFAOYSA-N
MW321.25 g/mol
LogP3.92
Rot. Bonds3

About 1-benzyl-4-(3,5-dichlorophenyl)pyrrolidin-3-amine

1-benzyl-4-(3,5-dichlorophenyl)pyrrolidin-3-amine (PubChem CID 131117119) has the molecular formula C17H18Cl2N2 and a molecular weight of 321.25 g/mol. Its IUPAC name is 1-benzyl-4-(3,5-dichlorophenyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-benzyl-4-(3,5-dichlorophenyl)pyrrolidin-3-amine
PubChem CID131117119
Molecular FormulaC17H18Cl2N2
Molecular Weight321.25 g/mol
Exact Mass320.08
IUPAC Name1-benzyl-4-(3,5-dichlorophenyl)pyrrolidin-3-amine
SMILESNC1CN(Cc2ccccc2)CC1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H18Cl2N2/c18-14-6-13(7-15(19)8-14)16-10-21(11-17(16)20)9-12-4-2-1-3-5-12/h1-8,16-17H,9-11,20H2
InChIKeyUKSUTJYVEPVVNY-UHFFFAOYSA-N
XLogP3.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.25
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-1-benzyl-4-(3,5-difluorophenyl)pyrrolidin-3-amine
CID 146550494
1-benzyl-3-(3,5-dichlorophenyl)-4-nitropyrrolidine
CID 134162689
1-benzyl-3-(3-chlorophenyl)piperidin-4-amine
CID 11601858
(3S,4R)-1-benzyl-4-[4-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 139593254
(3S,4R)-1-[(5-chloro-2-fluorophenyl)methyl]-4-phenylpyrrolidin-3-amine
CID 120770008
(3R,4R)-1-benzyl-4-(3-phenylmethoxyphenyl)pyrrolidin-3-amine
CID 129353823
(3R,4S)-1-benzyl-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amine
CID 66606644
(3R,4S)-1-benzyl-4-(6-methyl-3-pyridinyl)pyrrolidin-3-amine
CID 146402230
1-benzyl-3,4-diphenylpyrrolidine
CID 5136126
1-benzylpyrrolidine-3,4-diamine;cyclobutane-1,2-diamine;cyclopropane-1,2-diamine
CID 158227606
(3S,4R)-1-[[4-(difluoromethoxy)phenyl]methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120761188
(3S,4R)-1-[(5-bromothiophen-3-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120760875

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(3,5-dichlorophenyl)pyrrolidin-3-amine?
The IUPAC name of 1-benzyl-4-(3,5-dichlorophenyl)pyrrolidin-3-amine (CID 131117119) is 1-benzyl-4-(3,5-dichlorophenyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-benzyl-4-(3,5-dichlorophenyl)pyrrolidin-3-amine?
The canonical SMILES for 1-benzyl-4-(3,5-dichlorophenyl)pyrrolidin-3-amine is NC1CN(Cc2ccccc2)CC1c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-benzyl-4-(3,5-dichlorophenyl)pyrrolidin-3-amine?
The InChIKey is UKSUTJYVEPVVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2/c18-14-6-13(7-15(19)8-14)16-10-21(11-17(16)20)9-12-4-2-1-3-5-12/h1-8,16-17H,9-11,20H2.
What are the key properties of 1-benzyl-4-(3,5-dichlorophenyl)pyrrolidin-3-amine?
1-benzyl-4-(3,5-dichlorophenyl)pyrrolidin-3-amine has a molecular weight of 321.25 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(3,5-dichlorophenyl)pyrrolidin-3-amine is sourced from PubChem (CID 131117119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).