N-[1-(2-chlorophenyl)ethyl]-N-ethylpyrrolidin-3-amine

C14H21ClN2 — CID 63299507

IUPACN-[1-(2-chlorophenyl)ethyl]-N-ethylpyrrolidin-3-amine
SMILESCCN(C1CCNC1)C(C)c1ccccc1Cl
InChIInChI=1S/C14H21ClN2/c1-3-17(12-8-9-16-10-12)11(2)13-6-4-5-7-14(13)15/h4-7,11-12,16H,3,8-10H2,1-2H3
InChIKeyNGVNKUGWKGFMJL-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.08
Rot. Bonds4

About N-[1-(2-chlorophenyl)ethyl]-N-ethylpyrrolidin-3-amine

N-[1-(2-chlorophenyl)ethyl]-N-ethylpyrrolidin-3-amine (PubChem CID 63299507) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-N-ethylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-N-ethylpyrrolidin-3-amine
PubChem CID63299507
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-N-ethylpyrrolidin-3-amine
SMILESCCN(C1CCNC1)C(C)c1ccccc1Cl
InChIInChI=1S/C14H21ClN2/c1-3-17(12-8-9-16-10-12)11(2)13-6-4-5-7-14(13)15/h4-7,11-12,16H,3,8-10H2,1-2H3
InChIKeyNGVNKUGWKGFMJL-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,4-difluorophenyl)ethyl]-N-ethylpyrrolidin-3-amine
CID 63299279
N-[1-(2,3-dichlorophenyl)ethyl]-N-methylpyrrolidin-3-amine
CID 114079689
N-[1-(2-chlorophenyl)ethyl]-N-methylazetidin-3-amine
CID 62978284
N-[1-(2-methoxyphenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 63300912
N-benzhydryl-N-ethylpyrrolidin-3-amine
CID 63299768
N-ethyl-N-(1-phenylethyl)piperidin-3-amine
CID 63643629
4-[1-[ethyl(pyrrolidin-3-yl)amino]ethyl]-3-fluorophenol
CID 107720760
N-ethyl-N-(4-phenylbutan-2-yl)pyrrolidin-3-amine
CID 63301804
N-ethyl-N-(3-methyl-1-phenylbutyl)pyrrolidin-3-amine
CID 63299236
N-ethyl-N-[1-(3-methoxyphenyl)ethyl]pyrrolidin-3-amine
CID 63301494
N-[1-(2-chlorophenyl)ethyl]pyrrolidin-3-amine
CID 79724475
N-ethyl-N-[1-(5-fluoro-3-pyridinyl)ethyl]pyrrolidin-3-amine
CID 114080634

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-N-ethylpyrrolidin-3-amine?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-N-ethylpyrrolidin-3-amine (CID 63299507) is N-[1-(2-chlorophenyl)ethyl]-N-ethylpyrrolidin-3-amine.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-N-ethylpyrrolidin-3-amine?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-N-ethylpyrrolidin-3-amine is CCN(C1CCNC1)C(C)c1ccccc1Cl.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-N-ethylpyrrolidin-3-amine?
The InChIKey is NGVNKUGWKGFMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-3-17(12-8-9-16-10-12)11(2)13-6-4-5-7-14(13)15/h4-7,11-12,16H,3,8-10H2,1-2H3.
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-N-ethylpyrrolidin-3-amine?
N-[1-(2-chlorophenyl)ethyl]-N-ethylpyrrolidin-3-amine has a molecular weight of 252.79 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-N-ethylpyrrolidin-3-amine is sourced from PubChem (CID 63299507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).