1-(5-chloro-2-methylphenyl)-N-propylpyrrolidin-3-amine

C14H21ClN2 — CID 60862451

IUPAC1-(5-chloro-2-methylphenyl)-N-propylpyrrolidin-3-amine
SMILESCCCNC1CCN(c2cc(Cl)ccc2C)C1
InChIInChI=1S/C14H21ClN2/c1-3-7-16-13-6-8-17(10-13)14-9-12(15)5-4-11(14)2/h4-5,9,13,16H,3,6-8,10H2,1-2H3
InChIKeyFANBGPKMAZNKOF-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.23
Rot. Bonds4

About 1-(5-chloro-2-methylphenyl)-N-propylpyrrolidin-3-amine

1-(5-chloro-2-methylphenyl)-N-propylpyrrolidin-3-amine (PubChem CID 60862451) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-N-propylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-N-propylpyrrolidin-3-amine
PubChem CID60862451
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name1-(5-chloro-2-methylphenyl)-N-propylpyrrolidin-3-amine
SMILESCCCNC1CCN(c2cc(Cl)ccc2C)C1
InChIInChI=1S/C14H21ClN2/c1-3-7-16-13-6-8-17(10-13)14-9-12(15)5-4-11(14)2/h4-5,9,13,16H,3,6-8,10H2,1-2H3
InChIKeyFANBGPKMAZNKOF-UHFFFAOYSA-N
XLogP3.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dichlorophenyl)-N-propylpyrrolidin-3-amine
CID 60860793
1-(2,5-dimethylphenyl)-N-propylpyrrolidin-3-amine
CID 43314896
1-(5-chloro-2-methylphenyl)-N-methylpyrrolidin-3-amine
CID 60862449
1-(5-chloro-2-methylphenyl)-N-ethylpiperidin-4-amine
CID 54927324
1-(5-chloro-2-methylphenyl)-N-methylazetidin-3-amine
CID 117002914
1-(4-bromo-3-chlorophenyl)-N-propylpyrrolidin-3-amine
CID 107613067
1-(5-bromo-4-fluoro-2-methylphenyl)-N-propylpiperidin-3-amine
CID 107594230
1-[4-chloro-3-(trifluoromethyl)phenyl]-N-propylpyrrolidin-3-amine
CID 60860952
1-(2,6-difluorophenyl)-N-propylpyrrolidin-3-amine
CID 43315556
N-propyl-1-(3,4,5-trifluorophenyl)pyrrolidin-3-amine
CID 62809687
2-[[1-(2,5-dimethylphenyl)pyrrolidin-3-yl]amino]acetonitrile
CID 117004643
1-(1,3-dimethylpyrazol-4-yl)-N-propylpyrrolidin-3-amine
CID 102805781

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-N-propylpyrrolidin-3-amine?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-N-propylpyrrolidin-3-amine (CID 60862451) is 1-(5-chloro-2-methylphenyl)-N-propylpyrrolidin-3-amine.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-N-propylpyrrolidin-3-amine?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-N-propylpyrrolidin-3-amine is CCCNC1CCN(c2cc(Cl)ccc2C)C1.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-N-propylpyrrolidin-3-amine?
The InChIKey is FANBGPKMAZNKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-3-7-16-13-6-8-17(10-13)14-9-12(15)5-4-11(14)2/h4-5,9,13,16H,3,6-8,10H2,1-2H3.
What are the key properties of 1-(5-chloro-2-methylphenyl)-N-propylpyrrolidin-3-amine?
1-(5-chloro-2-methylphenyl)-N-propylpyrrolidin-3-amine has a molecular weight of 252.79 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)-N-propylpyrrolidin-3-amine is sourced from PubChem (CID 60862451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).