2-(3-chloro-2-fluorophenyl)-1-(2,2-dimethylcyclopentyl)ethanamine

C15H21ClFN — CID 107191661

IUPAC2-(3-chloro-2-fluorophenyl)-1-(2,2-dimethylcyclopentyl)ethanamine
SMILESCC1(C)CCCC1C(N)Cc1cccc(Cl)c1F
InChIInChI=1S/C15H21ClFN/c1-15(2)8-4-6-11(15)13(18)9-10-5-3-7-12(16)14(10)17/h3,5,7,11,13H,4,6,8-9,18H2,1-2H3
InChIKeyUHDQMQRATGTGQE-UHFFFAOYSA-N
MW269.79 g/mol
LogP4.18
Rot. Bonds3

About 2-(3-chloro-2-fluorophenyl)-1-(2,2-dimethylcyclopentyl)ethanamine

2-(3-chloro-2-fluorophenyl)-1-(2,2-dimethylcyclopentyl)ethanamine (PubChem CID 107191661) has the molecular formula C15H21ClFN and a molecular weight of 269.79 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-1-(2,2-dimethylcyclopentyl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-1-(2,2-dimethylcyclopentyl)ethanamine
PubChem CID107191661
Molecular FormulaC15H21ClFN
Molecular Weight269.79 g/mol
Exact Mass269.13
IUPAC Name2-(3-chloro-2-fluorophenyl)-1-(2,2-dimethylcyclopentyl)ethanamine
SMILESCC1(C)CCCC1C(N)Cc1cccc(Cl)c1F
InChIInChI=1S/C15H21ClFN/c1-15(2)8-4-6-11(15)13(18)9-10-5-3-7-12(16)14(10)17/h3,5,7,11,13H,4,6,8-9,18H2,1-2H3
InChIKeyUHDQMQRATGTGQE-UHFFFAOYSA-N
XLogP4.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.79
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,3-difluorophenyl)-1-(2,2-dimethylcyclohexyl)ethanamine
CID 107179648
2-(3-chloro-2-fluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-ethylethanamine
CID 107191654
2-(2,5-dichlorophenyl)-1-(2,2-dimethylcyclopentyl)ethanamine
CID 107189012
2-(3-chloro-2-fluorophenyl)-1-(2-methylcyclopentyl)ethanamine
CID 107191652
2-(3-chloro-2-fluorophenyl)-1-(thian-2-yl)ethanamine
CID 102857840
2-(3-chloro-2-fluorophenyl)-1-(3,4-dimethylcyclohexyl)ethanamine
CID 82805344
[2-(2,3-difluorophenyl)-1-(2,2-dimethylcyclohexyl)ethyl]hydrazine
CID 107193665
1-(3-chloro-2-fluorophenyl)-3-cyclobutylpropan-2-amine
CID 82806050
2-(2-bromo-4-fluorophenyl)-1-(2,2-dimethylcyclohexyl)ethanamine
CID 107188309
1-(2,2-dimethylcyclopentyl)-2-thiophen-2-ylethanamine
CID 107179421
2-(5-bromo-2-methoxyphenyl)-1-(2,2-dimethylcyclopentyl)ethanamine
CID 107188007
[2-(3-chloro-2-fluorophenyl)-1-cyclopropylethyl]hydrazine
CID 105264277

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(2,2-dimethylcyclopentyl)ethanamine?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(2,2-dimethylcyclopentyl)ethanamine (CID 107191661) is 2-(3-chloro-2-fluorophenyl)-1-(2,2-dimethylcyclopentyl)ethanamine.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-1-(2,2-dimethylcyclopentyl)ethanamine?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-1-(2,2-dimethylcyclopentyl)ethanamine is CC1(C)CCCC1C(N)Cc1cccc(Cl)c1F.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-1-(2,2-dimethylcyclopentyl)ethanamine?
The InChIKey is UHDQMQRATGTGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFN/c1-15(2)8-4-6-11(15)13(18)9-10-5-3-7-12(16)14(10)17/h3,5,7,11,13H,4,6,8-9,18H2,1-2H3.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-1-(2,2-dimethylcyclopentyl)ethanamine?
2-(3-chloro-2-fluorophenyl)-1-(2,2-dimethylcyclopentyl)ethanamine has a molecular weight of 269.79 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-1-(2,2-dimethylcyclopentyl)ethanamine is sourced from PubChem (CID 107191661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).