N-[1-(4-chlorophenyl)ethyl]-N-propylpyrrolidin-3-amine

C15H23ClN2 — CID 63300570

IUPACN-[1-(4-chlorophenyl)ethyl]-N-propylpyrrolidin-3-amine
SMILESCCCN(C1CCNC1)C(C)c1ccc(Cl)cc1
InChIInChI=1S/C15H23ClN2/c1-3-10-18(15-8-9-17-11-15)12(2)13-4-6-14(16)7-5-13/h4-7,12,15,17H,3,8-11H2,1-2H3
InChIKeyMCWLTBGUWUPJBT-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.47
Rot. Bonds5

About N-[1-(4-chlorophenyl)ethyl]-N-propylpyrrolidin-3-amine

N-[1-(4-chlorophenyl)ethyl]-N-propylpyrrolidin-3-amine (PubChem CID 63300570) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-N-propylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-N-propylpyrrolidin-3-amine
PubChem CID63300570
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-N-propylpyrrolidin-3-amine
SMILESCCCN(C1CCNC1)C(C)c1ccc(Cl)cc1
InChIInChI=1S/C15H23ClN2/c1-3-10-18(15-8-9-17-11-15)12(2)13-4-6-14(16)7-5-13/h4-7,12,15,17H,3,8-11H2,1-2H3
InChIKeyMCWLTBGUWUPJBT-UHFFFAOYSA-N
XLogP3.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-chloro-4-fluorophenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 55204008
N-[1-(3-bromo-4-fluorophenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 55205536
N-[1-(4-propoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 63300783
N-[1-[4-(dimethylamino)phenyl]ethyl]-N-propylpiperidin-3-amine
CID 63638109
4-[1-[piperidin-3-yl(propyl)amino]ethyl]phenol
CID 63636728
N-[1-(2,5-dichlorophenyl)ethyl]-N-propylpiperidin-3-amine
CID 63636723
N-propyl-N-[1-(4-propylphenyl)ethyl]azetidin-3-amine
CID 66183935
N-[1-(2-methoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 63300912
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-N-propylpyrrolidin-3-amine
CID 63300746
N-(3-methyl-1-phenylbutyl)-N-propylpyrrolidin-3-amine
CID 63300659
N-[1-(2,5-dimethoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 63300651
N-[1-(2,4-dimethoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 63300614

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-N-propylpyrrolidin-3-amine?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-N-propylpyrrolidin-3-amine (CID 63300570) is N-[1-(4-chlorophenyl)ethyl]-N-propylpyrrolidin-3-amine.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-N-propylpyrrolidin-3-amine?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-N-propylpyrrolidin-3-amine is CCCN(C1CCNC1)C(C)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-N-propylpyrrolidin-3-amine?
The InChIKey is MCWLTBGUWUPJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-3-10-18(15-8-9-17-11-15)12(2)13-4-6-14(16)7-5-13/h4-7,12,15,17H,3,8-11H2,1-2H3.
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-N-propylpyrrolidin-3-amine?
N-[1-(4-chlorophenyl)ethyl]-N-propylpyrrolidin-3-amine has a molecular weight of 266.82 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-N-propylpyrrolidin-3-amine is sourced from PubChem (CID 63300570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).