(3S)-N-butyl-N-[(3,5-dichlorophenyl)methyl]pyrrolidin-3-amine

C15H22Cl2N2 — CID 11162401

IUPAC(3S)-N-butyl-N-[(3,5-dichlorophenyl)methyl]pyrrolidin-3-amine
SMILESCCCCN(Cc1cc(Cl)cc(Cl)c1)[C@H]1CCNC1
InChIInChI=1S/C15H22Cl2N2/c1-2-3-6-19(15-4-5-18-10-15)11-12-7-13(16)9-14(17)8-12/h7-9,15,18H,2-6,10-11H2,1H3/t15-/m0/s1
InChIKeyPUIMVIFUBMVRIV-HNNXBMFYSA-N
MW301.26 g/mol
LogP3.96
Rot. Bonds6

About (3S)-N-butyl-N-[(3,5-dichlorophenyl)methyl]pyrrolidin-3-amine

(3S)-N-butyl-N-[(3,5-dichlorophenyl)methyl]pyrrolidin-3-amine (PubChem CID 11162401) has the molecular formula C15H22Cl2N2 and a molecular weight of 301.26 g/mol. Its IUPAC name is (3S)-N-butyl-N-[(3,5-dichlorophenyl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-N-butyl-N-[(3,5-dichlorophenyl)methyl]pyrrolidin-3-amine
PubChem CID11162401
Molecular FormulaC15H22Cl2N2
Molecular Weight301.26 g/mol
Exact Mass300.12
IUPAC Name(3S)-N-butyl-N-[(3,5-dichlorophenyl)methyl]pyrrolidin-3-amine
SMILESCCCCN(Cc1cc(Cl)cc(Cl)c1)[C@H]1CCNC1
InChIInChI=1S/C15H22Cl2N2/c1-2-3-6-19(15-4-5-18-10-15)11-12-7-13(16)9-14(17)8-12/h7-9,15,18H,2-6,10-11H2,1H3/t15-/m0/s1
InChIKeyPUIMVIFUBMVRIV-HNNXBMFYSA-N
XLogP3.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-N-[(4-methylphenyl)methyl]pyrrolidin-3-amine
CID 69061911
N-[(3,4-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921462
N-[(4-methylphenyl)methyl]-N-propylpyrrolidin-3-amine
CID 63300569
N-benzyl-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921759
N-[(4-chloro-2-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 114851223
(3S)-N-(cyclopropylmethyl)-N-[(3,5-dichlorophenyl)methyl]pyrrolidin-3-amine;2,3-dihydroxybutanedioic acid
CID 69063793
N-ethyl-N-pentylpyrrolidin-3-amine
CID 63299512
N-[(3,4-dibromophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 113499913
4-[[propyl(pyrrolidin-3-yl)amino]methyl]benzene-1,2-diol
CID 55204580
4-N-[(3,5-dichlorophenyl)methyl]-4-N-propylcyclohexane-1,4-diamine
CID 79112363
N-[(3,5-dimethylphenyl)methyl]-N-propylpiperidin-3-amine
CID 63637242
N-[(2,6-dichlorophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 55204961

Frequently Asked Questions

What is the IUPAC name of (3S)-N-butyl-N-[(3,5-dichlorophenyl)methyl]pyrrolidin-3-amine?
The IUPAC name of (3S)-N-butyl-N-[(3,5-dichlorophenyl)methyl]pyrrolidin-3-amine (CID 11162401) is (3S)-N-butyl-N-[(3,5-dichlorophenyl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3S)-N-butyl-N-[(3,5-dichlorophenyl)methyl]pyrrolidin-3-amine?
The canonical SMILES for (3S)-N-butyl-N-[(3,5-dichlorophenyl)methyl]pyrrolidin-3-amine is CCCCN(Cc1cc(Cl)cc(Cl)c1)[C@H]1CCNC1.
What is the InChIKey of (3S)-N-butyl-N-[(3,5-dichlorophenyl)methyl]pyrrolidin-3-amine?
The InChIKey is PUIMVIFUBMVRIV-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H22Cl2N2/c1-2-3-6-19(15-4-5-18-10-15)11-12-7-13(16)9-14(17)8-12/h7-9,15,18H,2-6,10-11H2,1H3/t15-/m0/s1.
What are the key properties of (3S)-N-butyl-N-[(3,5-dichlorophenyl)methyl]pyrrolidin-3-amine?
(3S)-N-butyl-N-[(3,5-dichlorophenyl)methyl]pyrrolidin-3-amine has a molecular weight of 301.26 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-butyl-N-[(3,5-dichlorophenyl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 11162401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).