N-[(5-chloro-2-fluorophenyl)methyl]-2,3-dimethylcyclopentan-1-amine

C14H19ClFN — CID 114842394

IUPACN-[(5-chloro-2-fluorophenyl)methyl]-2,3-dimethylcyclopentan-1-amine
SMILESCC1CCC(NCc2cc(Cl)ccc2F)C1C
InChIInChI=1S/C14H19ClFN/c1-9-3-6-14(10(9)2)17-8-11-7-12(15)4-5-13(11)16/h4-5,7,9-10,14,17H,3,6,8H2,1-2H3
InChIKeyACBBRFBUNMROJX-UHFFFAOYSA-N
MW255.76 g/mol
LogP4.00
Rot. Bonds3

About N-[(5-chloro-2-fluorophenyl)methyl]-2,3-dimethylcyclopentan-1-amine

N-[(5-chloro-2-fluorophenyl)methyl]-2,3-dimethylcyclopentan-1-amine (PubChem CID 114842394) has the molecular formula C14H19ClFN and a molecular weight of 255.76 g/mol. Its IUPAC name is N-[(5-chloro-2-fluorophenyl)methyl]-2,3-dimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(5-chloro-2-fluorophenyl)methyl]-2,3-dimethylcyclopentan-1-amine
PubChem CID114842394
Molecular FormulaC14H19ClFN
Molecular Weight255.76 g/mol
Exact Mass255.12
IUPAC NameN-[(5-chloro-2-fluorophenyl)methyl]-2,3-dimethylcyclopentan-1-amine
SMILESCC1CCC(NCc2cc(Cl)ccc2F)C1C
InChIInChI=1S/C14H19ClFN/c1-9-3-6-14(10(9)2)17-8-11-7-12(15)4-5-13(11)16/h4-5,7,9-10,14,17H,3,6,8H2,1-2H3
InChIKeyACBBRFBUNMROJX-UHFFFAOYSA-N
XLogP4.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.76
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,5-dichlorophenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 65317315
N-[(2,4-difluorophenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 64908869
N-[(4-chloro-2-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 64907420
2,3-dimethyl-N-[(3,4,5-trifluorophenyl)methyl]cyclopentan-1-amine
CID 64907785
N-[(4-chloro-2-fluorophenyl)methyl]-2-methylcyclopentan-1-amine
CID 114749969
N-[(2-bromo-5-chlorophenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine
CID 66159387
N-[(2-bromophenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 64909294
2,3-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopentan-1-amine
CID 64909083
N-[(5-chloro-2-fluorophenyl)methyl]-2-(chloromethyl)cyclopentan-1-amine
CID 106365036
3-chloro-N-[(5-chloro-2-fluorophenyl)methyl]cyclobutan-1-amine
CID 103050005
N-[(2-bromo-5-chlorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 66161363
N-[(4-ethylphenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 64907324

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-fluorophenyl)methyl]-2,3-dimethylcyclopentan-1-amine?
The IUPAC name of N-[(5-chloro-2-fluorophenyl)methyl]-2,3-dimethylcyclopentan-1-amine (CID 114842394) is N-[(5-chloro-2-fluorophenyl)methyl]-2,3-dimethylcyclopentan-1-amine.
What is the SMILES notation for N-[(5-chloro-2-fluorophenyl)methyl]-2,3-dimethylcyclopentan-1-amine?
The canonical SMILES for N-[(5-chloro-2-fluorophenyl)methyl]-2,3-dimethylcyclopentan-1-amine is CC1CCC(NCc2cc(Cl)ccc2F)C1C.
What is the InChIKey of N-[(5-chloro-2-fluorophenyl)methyl]-2,3-dimethylcyclopentan-1-amine?
The InChIKey is ACBBRFBUNMROJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFN/c1-9-3-6-14(10(9)2)17-8-11-7-12(15)4-5-13(11)16/h4-5,7,9-10,14,17H,3,6,8H2,1-2H3.
What are the key properties of N-[(5-chloro-2-fluorophenyl)methyl]-2,3-dimethylcyclopentan-1-amine?
N-[(5-chloro-2-fluorophenyl)methyl]-2,3-dimethylcyclopentan-1-amine has a molecular weight of 255.76 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-fluorophenyl)methyl]-2,3-dimethylcyclopentan-1-amine is sourced from PubChem (CID 114842394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).