1-[4-chloro-2-(3-ethylpyrrolidin-1-yl)phenyl]propan-2-amine

C15H23ClN2 — CID 114862200

IUPAC1-[4-chloro-2-(3-ethylpyrrolidin-1-yl)phenyl]propan-2-amine
SMILESCCC1CCN(c2cc(Cl)ccc2CC(C)N)C1
InChIInChI=1S/C15H23ClN2/c1-3-12-6-7-18(10-12)15-9-14(16)5-4-13(15)8-11(2)17/h4-5,9,11-12H,3,6-8,10,17H2,1-2H3
InChIKeyYFKASHIAJJRTDH-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.47
Rot. Bonds4

About 1-[4-chloro-2-(3-ethylpyrrolidin-1-yl)phenyl]propan-2-amine

1-[4-chloro-2-(3-ethylpyrrolidin-1-yl)phenyl]propan-2-amine (PubChem CID 114862200) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 1-[4-chloro-2-(3-ethylpyrrolidin-1-yl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-chloro-2-(3-ethylpyrrolidin-1-yl)phenyl]propan-2-amine
PubChem CID114862200
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name1-[4-chloro-2-(3-ethylpyrrolidin-1-yl)phenyl]propan-2-amine
SMILESCCC1CCN(c2cc(Cl)ccc2CC(C)N)C1
InChIInChI=1S/C15H23ClN2/c1-3-12-6-7-18(10-12)15-9-14(16)5-4-13(15)8-11(2)17/h4-5,9,11-12H,3,6-8,10,17H2,1-2H3
InChIKeyYFKASHIAJJRTDH-UHFFFAOYSA-N
XLogP3.47
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

1-[4-chloro-2-(2-ethylthiomorpholin-4-yl)phenyl]propan-2-amine
CID 114862266
1-[5-bromo-2-(3-ethylpyrrolidin-1-yl)phenyl]propan-2-amine
CID 114061978
1-[4-chloro-2-(2,6-dimethylthiomorpholin-4-yl)phenyl]propan-2-amine
CID 114861717
[4-chloro-2-(4-ethylpiperidin-1-yl)phenyl]methanol
CID 114845335
1-[2-(3-ethylpyrrolidin-1-yl)-3-fluorophenyl]propan-2-amine
CID 114070145
1-[4-chloro-2-(2-ethylazepan-1-yl)phenyl]propan-2-amine
CID 114862216
N-[[4-chloro-2-(3-ethylpyrrolidin-1-yl)phenyl]methyl]-2-methoxyethanamine
CID 114853476
1-[5-chloro-2-(3-ethylpyrrolidin-1-yl)phenyl]-N-methylmethanamine
CID 114853468
1-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-chlorophenyl]propan-2-amine
CID 114862123
2-(2-aminopropyl)-5-chloro-N-(4-ethylcyclohexyl)-N-methylaniline
CID 114861531
[4-chloro-2-(4-propylpiperidin-1-yl)phenyl]methanamine
CID 63081802
1-[5-chloro-2-(4-methoxypiperidin-1-yl)phenyl]propan-2-amine
CID 114860582

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-(3-ethylpyrrolidin-1-yl)phenyl]propan-2-amine?
The IUPAC name of 1-[4-chloro-2-(3-ethylpyrrolidin-1-yl)phenyl]propan-2-amine (CID 114862200) is 1-[4-chloro-2-(3-ethylpyrrolidin-1-yl)phenyl]propan-2-amine.
What is the SMILES notation for 1-[4-chloro-2-(3-ethylpyrrolidin-1-yl)phenyl]propan-2-amine?
The canonical SMILES for 1-[4-chloro-2-(3-ethylpyrrolidin-1-yl)phenyl]propan-2-amine is CCC1CCN(c2cc(Cl)ccc2CC(C)N)C1.
What is the InChIKey of 1-[4-chloro-2-(3-ethylpyrrolidin-1-yl)phenyl]propan-2-amine?
The InChIKey is YFKASHIAJJRTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-3-12-6-7-18(10-12)15-9-14(16)5-4-13(15)8-11(2)17/h4-5,9,11-12H,3,6-8,10,17H2,1-2H3.
What are the key properties of 1-[4-chloro-2-(3-ethylpyrrolidin-1-yl)phenyl]propan-2-amine?
1-[4-chloro-2-(3-ethylpyrrolidin-1-yl)phenyl]propan-2-amine has a molecular weight of 266.82 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-(3-ethylpyrrolidin-1-yl)phenyl]propan-2-amine is sourced from PubChem (CID 114862200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).