2-[5-chloro-2-(3-propan-2-ylpyrrolidin-1-yl)phenyl]ethanamine

C15H23ClN2 — CID 114862190

IUPAC2-[5-chloro-2-(3-propan-2-ylpyrrolidin-1-yl)phenyl]ethanamine
SMILESCC(C)C1CCN(c2ccc(Cl)cc2CCN)C1
InChIInChI=1S/C15H23ClN2/c1-11(2)13-6-8-18(10-13)15-4-3-14(16)9-12(15)5-7-17/h3-4,9,11,13H,5-8,10,17H2,1-2H3
InChIKeyKGMJMAPTQXAMQP-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.32
Rot. Bonds4

About 2-[5-chloro-2-(3-propan-2-ylpyrrolidin-1-yl)phenyl]ethanamine

2-[5-chloro-2-(3-propan-2-ylpyrrolidin-1-yl)phenyl]ethanamine (PubChem CID 114862190) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 2-[5-chloro-2-(3-propan-2-ylpyrrolidin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[5-chloro-2-(3-propan-2-ylpyrrolidin-1-yl)phenyl]ethanamine
PubChem CID114862190
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name2-[5-chloro-2-(3-propan-2-ylpyrrolidin-1-yl)phenyl]ethanamine
SMILESCC(C)C1CCN(c2ccc(Cl)cc2CCN)C1
InChIInChI=1S/C15H23ClN2/c1-11(2)13-6-8-18(10-13)15-4-3-14(16)9-12(15)5-7-17/h3-4,9,11,13H,5-8,10,17H2,1-2H3
InChIKeyKGMJMAPTQXAMQP-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-chloro-2-(3-propan-2-ylpyrrolidin-1-yl)phenyl]methyl]propan-2-amine
CID 114853445
2-[5-chloro-2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]ethanamine
CID 114861174
1-[1-[4-chloro-2-(ethylaminomethyl)phenyl]pyrrolidin-3-yl]ethanol
CID 114853256
2-(5-chloro-2-piperidin-1-ylphenyl)ethanamine
CID 114860401
2-[5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]ethanamine
CID 104980221
[3-methyl-4-(3-propan-2-ylpyrrolidin-1-yl)phenyl]methanamine
CID 113418166
2-[5-chloro-2-(4-cyclopentylpiperazin-1-yl)phenyl]ethanamine
CID 114860829
N-[[4-chloro-2-(3-propan-2-ylpyrrolidin-1-yl)phenyl]methyl]-2-methoxyethanamine
CID 114853448
3-chloro-4-(3-propan-2-ylpyrrolidin-1-yl)benzenecarbothioamide
CID 113417496
1-[4-chloro-2-(chloromethyl)phenyl]-3-methylpyrrolidine
CID 114846443
[5-chloro-2-(3-methylpiperidin-1-yl)phenyl]methanamine
CID 10586057
[1-[2-(aminomethyl)-4-chlorophenyl]pyrrolidin-3-yl]methanol
CID 112624254

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(3-propan-2-ylpyrrolidin-1-yl)phenyl]ethanamine?
The IUPAC name of 2-[5-chloro-2-(3-propan-2-ylpyrrolidin-1-yl)phenyl]ethanamine (CID 114862190) is 2-[5-chloro-2-(3-propan-2-ylpyrrolidin-1-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[5-chloro-2-(3-propan-2-ylpyrrolidin-1-yl)phenyl]ethanamine?
The canonical SMILES for 2-[5-chloro-2-(3-propan-2-ylpyrrolidin-1-yl)phenyl]ethanamine is CC(C)C1CCN(c2ccc(Cl)cc2CCN)C1.
What is the InChIKey of 2-[5-chloro-2-(3-propan-2-ylpyrrolidin-1-yl)phenyl]ethanamine?
The InChIKey is KGMJMAPTQXAMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-11(2)13-6-8-18(10-13)15-4-3-14(16)9-12(15)5-7-17/h3-4,9,11,13H,5-8,10,17H2,1-2H3.
What are the key properties of 2-[5-chloro-2-(3-propan-2-ylpyrrolidin-1-yl)phenyl]ethanamine?
2-[5-chloro-2-(3-propan-2-ylpyrrolidin-1-yl)phenyl]ethanamine has a molecular weight of 266.82 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-(3-propan-2-ylpyrrolidin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 114862190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).