3-[(3-chloro-4-fluorophenyl)methyl]-3-methylcyclopentan-1-amine

C13H17ClFN — CID 103041673

IUPAC3-[(3-chloro-4-fluorophenyl)methyl]-3-methylcyclopentan-1-amine
SMILESCC1(Cc2ccc(F)c(Cl)c2)CCC(N)C1
InChIInChI=1S/C13H17ClFN/c1-13(5-4-10(16)8-13)7-9-2-3-12(15)11(14)6-9/h2-3,6,10H,4-5,7-8,16H2,1H3
InChIKeyJUFKSUAUHJQKEA-UHFFFAOYSA-N
MW241.74 g/mol
LogP3.54
Rot. Bonds2

About 3-[(3-chloro-4-fluorophenyl)methyl]-3-methylcyclopentan-1-amine

3-[(3-chloro-4-fluorophenyl)methyl]-3-methylcyclopentan-1-amine (PubChem CID 103041673) has the molecular formula C13H17ClFN and a molecular weight of 241.74 g/mol. Its IUPAC name is 3-[(3-chloro-4-fluorophenyl)methyl]-3-methylcyclopentan-1-amine.

Molecular Properties

Compound Name3-[(3-chloro-4-fluorophenyl)methyl]-3-methylcyclopentan-1-amine
PubChem CID103041673
Molecular FormulaC13H17ClFN
Molecular Weight241.74 g/mol
Exact Mass241.10
IUPAC Name3-[(3-chloro-4-fluorophenyl)methyl]-3-methylcyclopentan-1-amine
SMILESCC1(Cc2ccc(F)c(Cl)c2)CCC(N)C1
InChIInChI=1S/C13H17ClFN/c1-13(5-4-10(16)8-13)7-9-2-3-12(15)11(14)6-9/h2-3,6,10H,4-5,7-8,16H2,1H3
InChIKeyJUFKSUAUHJQKEA-UHFFFAOYSA-N
XLogP3.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(3,4-dichlorophenyl)methyl]-3-methylcyclopentan-1-amine
CID 116538677
3-[(3-chlorophenyl)methyl]-3-methylcyclopentan-1-amine
CID 116538936
3-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylcyclopentan-1-amine
CID 116538891
1-[(3-chloro-4-fluorophenyl)methyl]-3-ethylcyclopentan-1-ol
CID 103039036
3-methyl-3-(pyridin-4-ylmethyl)cyclopentan-1-amine
CID 116538767
3-[(3,4-difluorophenyl)methyl]-N,3-dimethylcyclopentan-1-amine
CID 116539016
1-[(3-chloro-4-fluorophenyl)methyl]-2-ethylcyclopentan-1-ol
CID 103039179
2-chloro-4-(cyclopropylmethyl)-1-fluorobenzene
CID 155293823
1-[(3-chloro-4-fluorophenyl)methyl]-3-ethylcyclopentane-1-carboxylic acid
CID 103041924
3-[(4-chloro-3-fluorophenyl)methyl]-3-fluorocyclohexan-1-amine
CID 114013147
3-[(3-chloro-4-fluorophenyl)methyl]-5,5-dimethylcyclohex-2-en-1-amine
CID 103041671
1-[(3-chloro-4-fluorophenyl)methyl]cyclobutan-1-ol
CID 103039079

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-4-fluorophenyl)methyl]-3-methylcyclopentan-1-amine?
The IUPAC name of 3-[(3-chloro-4-fluorophenyl)methyl]-3-methylcyclopentan-1-amine (CID 103041673) is 3-[(3-chloro-4-fluorophenyl)methyl]-3-methylcyclopentan-1-amine.
What is the SMILES notation for 3-[(3-chloro-4-fluorophenyl)methyl]-3-methylcyclopentan-1-amine?
The canonical SMILES for 3-[(3-chloro-4-fluorophenyl)methyl]-3-methylcyclopentan-1-amine is CC1(Cc2ccc(F)c(Cl)c2)CCC(N)C1.
What is the InChIKey of 3-[(3-chloro-4-fluorophenyl)methyl]-3-methylcyclopentan-1-amine?
The InChIKey is JUFKSUAUHJQKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFN/c1-13(5-4-10(16)8-13)7-9-2-3-12(15)11(14)6-9/h2-3,6,10H,4-5,7-8,16H2,1H3.
What are the key properties of 3-[(3-chloro-4-fluorophenyl)methyl]-3-methylcyclopentan-1-amine?
3-[(3-chloro-4-fluorophenyl)methyl]-3-methylcyclopentan-1-amine has a molecular weight of 241.74 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-4-fluorophenyl)methyl]-3-methylcyclopentan-1-amine is sourced from PubChem (CID 103041673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).