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

C14H19ClFN — CID 79861962

IUPACN-[(4-chloro-3-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-amine
SMILESCC1(C)CCCC1NCc1ccc(Cl)c(F)c1
InChIInChI=1S/C14H19ClFN/c1-14(2)7-3-4-13(14)17-9-10-5-6-11(15)12(16)8-10/h5-6,8,13,17H,3-4,7,9H2,1-2H3
InChIKeySJAXBYFOCXNUHB-UHFFFAOYSA-N
MW255.76 g/mol
LogP4.15
Rot. Bonds3

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

N-[(4-chloro-3-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-amine (PubChem CID 79861962) has the molecular formula C14H19ClFN and a molecular weight of 255.76 g/mol. Its IUPAC name is N-[(4-chloro-3-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(4-chloro-3-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-amine
PubChem CID79861962
Molecular FormulaC14H19ClFN
Molecular Weight255.76 g/mol
Exact Mass255.12
IUPAC NameN-[(4-chloro-3-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-amine
SMILESCC1(C)CCCC1NCc1ccc(Cl)c(F)c1
InChIInChI=1S/C14H19ClFN/c1-14(2)7-3-4-13(14)17-9-10-5-6-11(15)12(16)8-10/h5-6,8,13,17H,3-4,7,9H2,1-2H3
InChIKeySJAXBYFOCXNUHB-UHFFFAOYSA-N
XLogP4.15
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 ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-bromo-4-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79861703
N-[(4-bromo-3-fluorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 81436842
N-[(2-chloro-6-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79861477
N-[(4-ethylphenyl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79861395
2,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]cyclopentan-1-amine
CID 79857076
[4-[[(2,2-dimethylcyclopentyl)amino]methyl]phenyl]methanol
CID 113365810
N-[(6-methoxynaphthalen-2-yl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79866712
2,2-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentan-1-amine
CID 79865086
N-[(2,4-difluorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 79835366
2,2-dimethyl-N-[(2-methylquinolin-6-yl)methyl]cyclopentan-1-amine
CID 105378566
N-[(5-bromo-2-chlorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 114076581
3-chloro-2-[[(2,2-dimethylcyclopentyl)amino]methyl]phenol
CID 79831452

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-3-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-amine?
The IUPAC name of N-[(4-chloro-3-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-amine (CID 79861962) is N-[(4-chloro-3-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-amine.
What is the SMILES notation for N-[(4-chloro-3-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-amine?
The canonical SMILES for N-[(4-chloro-3-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-amine is CC1(C)CCCC1NCc1ccc(Cl)c(F)c1.
What is the InChIKey of N-[(4-chloro-3-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-amine?
The InChIKey is SJAXBYFOCXNUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFN/c1-14(2)7-3-4-13(14)17-9-10-5-6-11(15)12(16)8-10/h5-6,8,13,17H,3-4,7,9H2,1-2H3.
What are the key properties of N-[(4-chloro-3-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-amine?
N-[(4-chloro-3-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-amine has a molecular weight of 255.76 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-3-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-amine is sourced from PubChem (CID 79861962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).