1-[(2-chloro-3-fluorophenyl)methyl]-3,3-dimethylcyclopentan-1-amine

C14H19ClFN — CID 112653239

IUPAC1-[(2-chloro-3-fluorophenyl)methyl]-3,3-dimethylcyclopentan-1-amine
SMILESCC1(C)CCC(N)(Cc2cccc(F)c2Cl)C1
InChIInChI=1S/C14H19ClFN/c1-13(2)6-7-14(17,9-13)8-10-4-3-5-11(16)12(10)15/h3-5H,6-9,17H2,1-2H3
InChIKeyMYQXNHUYMSLSLU-UHFFFAOYSA-N
MW255.76 g/mol
LogP3.93
Rot. Bonds2

About 1-[(2-chloro-3-fluorophenyl)methyl]-3,3-dimethylcyclopentan-1-amine

1-[(2-chloro-3-fluorophenyl)methyl]-3,3-dimethylcyclopentan-1-amine (PubChem CID 112653239) has the molecular formula C14H19ClFN and a molecular weight of 255.76 g/mol. Its IUPAC name is 1-[(2-chloro-3-fluorophenyl)methyl]-3,3-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-[(2-chloro-3-fluorophenyl)methyl]-3,3-dimethylcyclopentan-1-amine
PubChem CID112653239
Molecular FormulaC14H19ClFN
Molecular Weight255.76 g/mol
Exact Mass255.12
IUPAC Name1-[(2-chloro-3-fluorophenyl)methyl]-3,3-dimethylcyclopentan-1-amine
SMILESCC1(C)CCC(N)(Cc2cccc(F)c2Cl)C1
InChIInChI=1S/C14H19ClFN/c1-13(2)6-7-14(17,9-13)8-10-4-3-5-11(16)12(10)15/h3-5H,6-9,17H2,1-2H3
InChIKeyMYQXNHUYMSLSLU-UHFFFAOYSA-N
XLogP3.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.76
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2-chloro-3-fluorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103961208
1-[(2,4-dichlorophenyl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 80705450
1-[(2-chloro-3-methylphenyl)methyl]cyclopropan-1-amine
CID 117285887
[1-[(2-chloro-3-fluorophenyl)methyl]cyclopropyl]methanamine
CID 112654232
3-[(2-chloro-3-fluorophenyl)methyl]-3-methylazetidine
CID 112654969
1-[(2-chloro-6-fluorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 115999473
1-[(2-chloro-3-fluoro-4-methylphenyl)methyl]cyclopropan-1-amine
CID 117304677
2-[(2-chloro-3-fluorophenyl)methyl]-2-propan-2-ylpyrrolidine
CID 112653822
[1-[(2-chloro-3-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine
CID 112654779
1-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]cyclopropan-1-amine
CID 117337409
3-[(2-chloro-3-fluorophenyl)methyl]-3-fluorocyclobutan-1-amine
CID 112655178
1-[(2,5-dichlorophenyl)methyl]-3,3-dimethylcyclohexan-1-amine
CID 65317057

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-3-fluorophenyl)methyl]-3,3-dimethylcyclopentan-1-amine?
The IUPAC name of 1-[(2-chloro-3-fluorophenyl)methyl]-3,3-dimethylcyclopentan-1-amine (CID 112653239) is 1-[(2-chloro-3-fluorophenyl)methyl]-3,3-dimethylcyclopentan-1-amine.
What is the SMILES notation for 1-[(2-chloro-3-fluorophenyl)methyl]-3,3-dimethylcyclopentan-1-amine?
The canonical SMILES for 1-[(2-chloro-3-fluorophenyl)methyl]-3,3-dimethylcyclopentan-1-amine is CC1(C)CCC(N)(Cc2cccc(F)c2Cl)C1.
What is the InChIKey of 1-[(2-chloro-3-fluorophenyl)methyl]-3,3-dimethylcyclopentan-1-amine?
The InChIKey is MYQXNHUYMSLSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFN/c1-13(2)6-7-14(17,9-13)8-10-4-3-5-11(16)12(10)15/h3-5H,6-9,17H2,1-2H3.
What are the key properties of 1-[(2-chloro-3-fluorophenyl)methyl]-3,3-dimethylcyclopentan-1-amine?
1-[(2-chloro-3-fluorophenyl)methyl]-3,3-dimethylcyclopentan-1-amine has a molecular weight of 255.76 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-3-fluorophenyl)methyl]-3,3-dimethylcyclopentan-1-amine is sourced from PubChem (CID 112653239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).