3-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-N-propylcyclopentan-1-amine

C16H23ClFN — CID 64910087

IUPAC3-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(Cc2ccc(F)cc2Cl)C1C
InChIInChI=1S/C16H23ClFN/c1-3-8-19-16-7-5-12(11(16)2)9-13-4-6-14(18)10-15(13)17/h4,6,10-12,16,19H,3,5,7-9H2,1-2H3
InChIKeyKFQNYGVXADBCBU-UHFFFAOYSA-N
MW283.82 g/mol
LogP4.44
Rot. Bonds5

About 3-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-N-propylcyclopentan-1-amine

3-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-N-propylcyclopentan-1-amine (PubChem CID 64910087) has the molecular formula C16H23ClFN and a molecular weight of 283.82 g/mol. Its IUPAC name is 3-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name3-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-N-propylcyclopentan-1-amine
PubChem CID64910087
Molecular FormulaC16H23ClFN
Molecular Weight283.82 g/mol
Exact Mass283.15
IUPAC Name3-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(Cc2ccc(F)cc2Cl)C1C
InChIInChI=1S/C16H23ClFN/c1-3-8-19-16-7-5-12(11(16)2)9-13-4-6-14(18)10-15(13)17/h4,6,10-12,16,19H,3,5,7-9H2,1-2H3
InChIKeyKFQNYGVXADBCBU-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.82
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(2-chloro-5-fluorophenyl)methyl]-N-ethyl-2-methylcyclopentan-1-amine
CID 102620493
N-[[2-[(2-chloro-4-fluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81028015
3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methyl-N-propylcyclopentan-1-amine
CID 104795136
2-[(4-fluoro-2-methylphenyl)methyl]-4-methyl-N-propylcyclohexan-1-amine
CID 114346488
2-[(2,4-dichlorophenyl)methyl]-N-propylcyclohexan-1-amine
CID 63399956
2-[(2,4-difluorophenyl)methyl]-N-propylcyclohexan-1-amine
CID 62197668
2-methyl-3-[(4-methylphenyl)methyl]-N-propylcyclopentan-1-amine
CID 64909011
3-(1-benzothiophen-3-ylmethyl)-2-methyl-N-propylcyclopentan-1-amine
CID 64907706
3-(4-fluorophenyl)-2-methyl-N-propylcyclopentan-1-amine
CID 64909010
3-[(5-ethylthiophen-2-yl)methyl]-2-methyl-N-propylcyclopentan-1-amine
CID 64908131
3-[(3-bromophenyl)methyl]-2-methyl-N-propylcyclopentan-1-amine
CID 64907274
2-methyl-N-propyl-3-(thiophen-2-ylmethyl)cyclopentan-1-amine
CID 64907493

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-N-propylcyclopentan-1-amine?
The IUPAC name of 3-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-N-propylcyclopentan-1-amine (CID 64910087) is 3-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-N-propylcyclopentan-1-amine.
What is the SMILES notation for 3-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-N-propylcyclopentan-1-amine?
The canonical SMILES for 3-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-N-propylcyclopentan-1-amine is CCCNC1CCC(Cc2ccc(F)cc2Cl)C1C.
What is the InChIKey of 3-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-N-propylcyclopentan-1-amine?
The InChIKey is KFQNYGVXADBCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClFN/c1-3-8-19-16-7-5-12(11(16)2)9-13-4-6-14(18)10-15(13)17/h4,6,10-12,16,19H,3,5,7-9H2,1-2H3.
What are the key properties of 3-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-N-propylcyclopentan-1-amine?
3-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-N-propylcyclopentan-1-amine has a molecular weight of 283.82 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-N-propylcyclopentan-1-amine is sourced from PubChem (CID 64910087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).