1-(2,5-dichlorophenyl)-N-propylpyrrolidin-3-amine

C13H18Cl2N2 — CID 60860793

IUPAC1-(2,5-dichlorophenyl)-N-propylpyrrolidin-3-amine
SMILESCCCNC1CCN(c2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C13H18Cl2N2/c1-2-6-16-11-5-7-17(9-11)13-8-10(14)3-4-12(13)15/h3-4,8,11,16H,2,5-7,9H2,1H3
InChIKeySIQNLVWXQPSQHI-UHFFFAOYSA-N
MW273.21 g/mol
LogP3.57
Rot. Bonds4

About 1-(2,5-dichlorophenyl)-N-propylpyrrolidin-3-amine

1-(2,5-dichlorophenyl)-N-propylpyrrolidin-3-amine (PubChem CID 60860793) has the molecular formula C13H18Cl2N2 and a molecular weight of 273.21 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-N-propylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-N-propylpyrrolidin-3-amine
PubChem CID60860793
Molecular FormulaC13H18Cl2N2
Molecular Weight273.21 g/mol
Exact Mass272.08
IUPAC Name1-(2,5-dichlorophenyl)-N-propylpyrrolidin-3-amine
SMILESCCCNC1CCN(c2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C13H18Cl2N2/c1-2-6-16-11-5-7-17(9-11)13-8-10(14)3-4-12(13)15/h3-4,8,11,16H,2,5-7,9H2,1H3
InChIKeySIQNLVWXQPSQHI-UHFFFAOYSA-N
XLogP3.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-methylphenyl)-N-propylpyrrolidin-3-amine
CID 60862451
1-(2,5-dimethylphenyl)-N-propylpyrrolidin-3-amine
CID 43314896
1-(4-bromo-3-chlorophenyl)-N-propylpyrrolidin-3-amine
CID 107613067
1-[4-chloro-3-(trifluoromethyl)phenyl]-N-propylpyrrolidin-3-amine
CID 60860952
1-[2-chloro-5-(trifluoromethyl)phenyl]-N-ethylpyrrolidin-3-amine
CID 60862803
1-(5-chloro-2-methylphenyl)-N-methylpyrrolidin-3-amine
CID 60862449
1-(2,6-difluorophenyl)-N-propylpyrrolidin-3-amine
CID 43315556
1-(5-chloro-2-methylphenyl)-N-ethylpiperidin-4-amine
CID 54927324
N-propyl-1-(3,4,5-trifluorophenyl)pyrrolidin-3-amine
CID 62809687
N-propyl-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-3-amine
CID 63180231
1-(1,3-dimethylpyrazol-4-yl)-N-propylpyrrolidin-3-amine
CID 102805781
N-[[1-(2-chloro-5-methylphenyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 107636404

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-N-propylpyrrolidin-3-amine?
The IUPAC name of 1-(2,5-dichlorophenyl)-N-propylpyrrolidin-3-amine (CID 60860793) is 1-(2,5-dichlorophenyl)-N-propylpyrrolidin-3-amine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-N-propylpyrrolidin-3-amine?
The canonical SMILES for 1-(2,5-dichlorophenyl)-N-propylpyrrolidin-3-amine is CCCNC1CCN(c2cc(Cl)ccc2Cl)C1.
What is the InChIKey of 1-(2,5-dichlorophenyl)-N-propylpyrrolidin-3-amine?
The InChIKey is SIQNLVWXQPSQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2/c1-2-6-16-11-5-7-17(9-11)13-8-10(14)3-4-12(13)15/h3-4,8,11,16H,2,5-7,9H2,1H3.
What are the key properties of 1-(2,5-dichlorophenyl)-N-propylpyrrolidin-3-amine?
1-(2,5-dichlorophenyl)-N-propylpyrrolidin-3-amine has a molecular weight of 273.21 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-N-propylpyrrolidin-3-amine is sourced from PubChem (CID 60860793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).