(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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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).