(3S)-N-(3,4-dichlorophenyl)-N,1-dimethylpyrrolidin-3-amine

C12H16Cl2N2 — CID 59726187

IUPAC(3S)-N-(3,4-dichlorophenyl)-N,1-dimethylpyrrolidin-3-amine
SMILESCN1CC[C@H](N(C)c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C12H16Cl2N2/c1-15-6-5-10(8-15)16(2)9-3-4-11(13)12(14)7-9/h3-4,7,10H,5-6,8H2,1-2H3/t10-/m0/s1
InChIKeyHBBXFNHHFSGSIY-JTQLQIEISA-N
MW259.18 g/mol
LogP3.13
Rot. Bonds2

About (3S)-N-(3,4-dichlorophenyl)-N,1-dimethylpyrrolidin-3-amine

(3S)-N-(3,4-dichlorophenyl)-N,1-dimethylpyrrolidin-3-amine (PubChem CID 59726187) has the molecular formula C12H16Cl2N2 and a molecular weight of 259.18 g/mol. Its IUPAC name is (3S)-N-(3,4-dichlorophenyl)-N,1-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-N-(3,4-dichlorophenyl)-N,1-dimethylpyrrolidin-3-amine
PubChem CID59726187
Molecular FormulaC12H16Cl2N2
Molecular Weight259.18 g/mol
Exact Mass258.07
IUPAC Name(3S)-N-(3,4-dichlorophenyl)-N,1-dimethylpyrrolidin-3-amine
SMILESCN1CC[C@H](N(C)c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C12H16Cl2N2/c1-15-6-5-10(8-15)16(2)9-3-4-11(13)12(14)7-9/h3-4,7,10H,5-6,8H2,1-2H3/t10-/m0/s1
InChIKeyHBBXFNHHFSGSIY-JTQLQIEISA-N
XLogP3.13
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.18
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromophenyl)-N,1-dimethylpyrrolidin-3-amine
CID 83844779
N,1-dimethyl-N-(3-methylphenyl)pyrrolidin-3-amine;ethane
CID 167711519
4-[methyl-(1-methylpyrrolidin-3-yl)amino]benzonitrile
CID 146510734
4-chloro-N-methyl-N-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-amine
CID 130598303
3-(3,4-dichlorophenyl)-1-methylpyrrolidine
CID 67174764
2-chloro-N-methyl-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine
CID 130598318
2-N,4-N-dimethyl-4-N-(1-methylpiperidin-3-yl)pyridine-2,4-diamine
CID 113367781
N,1-dimethyl-N-(3-nitrophenyl)pyrrolidin-3-amine
CID 173013327
N,5-dimethyl-N-(1-methylpyrrolidin-3-yl)pyridin-2-amine
CID 71154860
N-[3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-4-(trifluoromethyl)phenyl]-N,1-dimethylpyrrolidin-3-amine
CID 150773362
2-chloro-4-[(2,6-dichlorophenyl)methyl-[(3S)-1-methylpyrrolidin-3-yl]amino]benzonitrile
CID 45273809
(3S)-N,N,1-trimethylpyrrolidin-3-amine
CID 59975379

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3,4-dichlorophenyl)-N,1-dimethylpyrrolidin-3-amine?
The IUPAC name of (3S)-N-(3,4-dichlorophenyl)-N,1-dimethylpyrrolidin-3-amine (CID 59726187) is (3S)-N-(3,4-dichlorophenyl)-N,1-dimethylpyrrolidin-3-amine.
What is the SMILES notation for (3S)-N-(3,4-dichlorophenyl)-N,1-dimethylpyrrolidin-3-amine?
The canonical SMILES for (3S)-N-(3,4-dichlorophenyl)-N,1-dimethylpyrrolidin-3-amine is CN1CC[C@H](N(C)c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of (3S)-N-(3,4-dichlorophenyl)-N,1-dimethylpyrrolidin-3-amine?
The InChIKey is HBBXFNHHFSGSIY-JTQLQIEISA-N. The full InChI is InChI=1S/C12H16Cl2N2/c1-15-6-5-10(8-15)16(2)9-3-4-11(13)12(14)7-9/h3-4,7,10H,5-6,8H2,1-2H3/t10-/m0/s1.
What are the key properties of (3S)-N-(3,4-dichlorophenyl)-N,1-dimethylpyrrolidin-3-amine?
(3S)-N-(3,4-dichlorophenyl)-N,1-dimethylpyrrolidin-3-amine has a molecular weight of 259.18 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3,4-dichlorophenyl)-N,1-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 59726187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).