2-(3-chlorophenyl)-4-pyrrolidin-1-ylbutan-1-amine

C14H21ClN2 — CID 44828758

IUPAC2-(3-chlorophenyl)-4-pyrrolidin-1-ylbutan-1-amine
SMILESNCC(CCN1CCCC1)c1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2/c15-14-5-3-4-12(10-14)13(11-16)6-9-17-7-1-2-8-17/h3-5,10,13H,1-2,6-9,11,16H2
InChIKeyZKPDFRWDVGWCJC-UHFFFAOYSA-N
MW252.79 g/mol
LogP2.87
Rot. Bonds5

About 2-(3-chlorophenyl)-4-pyrrolidin-1-ylbutan-1-amine

2-(3-chlorophenyl)-4-pyrrolidin-1-ylbutan-1-amine (PubChem CID 44828758) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4-pyrrolidin-1-ylbutan-1-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4-pyrrolidin-1-ylbutan-1-amine
PubChem CID44828758
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name2-(3-chlorophenyl)-4-pyrrolidin-1-ylbutan-1-amine
SMILESNCC(CCN1CCCC1)c1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2/c15-14-5-3-4-12(10-14)13(11-16)6-9-17-7-1-2-8-17/h3-5,10,13H,1-2,6-9,11,16H2
InChIKeyZKPDFRWDVGWCJC-UHFFFAOYSA-N
XLogP2.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(azocan-1-yl)-1-(3-chlorophenyl)propan-1-amine
CID 62629736
2-(4-chlorophenyl)-4-pyrrolidin-1-ylbutan-1-amine;hydrochloride
CID 53487609
2-(2,4-dichlorophenyl)-4-pyrrolidin-1-ylbutan-1-amine
CID 84752986
2-(3-chlorophenyl)-4-cyclohexylbutan-1-amine
CID 114192546
1-(3-chlorophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-amine
CID 62628874
3,4-dichloro-N-[2-(3-chlorophenyl)-4-pyrrolidin-1-ylbutyl]benzenesulfonamide
CID 23567534
2-(3-chlorophenyl)-4-methoxybutan-1-amine
CID 79443641
3-amino-2-(3-chlorophenyl)propan-1-ol;hydrochloride
CID 119031530
1-[3-(3-chlorophenoxy)-3-phenylpropyl]piperidine
CID 71384087
2-(3-chlorophenyl)-4-(oxolan-2-yl)butan-1-amine
CID 79443258
N-[1-(3-chlorophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 43203896
4-(3-chlorophenyl)heptane-1,7-diamine
CID 170878710

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4-pyrrolidin-1-ylbutan-1-amine?
The IUPAC name of 2-(3-chlorophenyl)-4-pyrrolidin-1-ylbutan-1-amine (CID 44828758) is 2-(3-chlorophenyl)-4-pyrrolidin-1-ylbutan-1-amine.
What is the SMILES notation for 2-(3-chlorophenyl)-4-pyrrolidin-1-ylbutan-1-amine?
The canonical SMILES for 2-(3-chlorophenyl)-4-pyrrolidin-1-ylbutan-1-amine is NCC(CCN1CCCC1)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-4-pyrrolidin-1-ylbutan-1-amine?
The InChIKey is ZKPDFRWDVGWCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c15-14-5-3-4-12(10-14)13(11-16)6-9-17-7-1-2-8-17/h3-5,10,13H,1-2,6-9,11,16H2.
What are the key properties of 2-(3-chlorophenyl)-4-pyrrolidin-1-ylbutan-1-amine?
2-(3-chlorophenyl)-4-pyrrolidin-1-ylbutan-1-amine has a molecular weight of 252.79 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4-pyrrolidin-1-ylbutan-1-amine is sourced from PubChem (CID 44828758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).