N-[(2-chloro-6-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-amine

C14H19ClFN — CID 79861477

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-amine
SMILESCC1(C)CCCC1NCc1c(F)cccc1Cl
InChIInChI=1S/C14H19ClFN/c1-14(2)8-4-7-13(14)17-9-10-11(15)5-3-6-12(10)16/h3,5-6,13,17H,4,7-9H2,1-2H3
InChIKeyKEOXWWIGHMVWTG-UHFFFAOYSA-N
MW255.76 g/mol
LogP4.15
Rot. Bonds3

About N-[(2-chloro-6-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-amine

N-[(2-chloro-6-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-amine (PubChem CID 79861477) has the molecular formula C14H19ClFN and a molecular weight of 255.76 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-amine
PubChem CID79861477
Molecular FormulaC14H19ClFN
Molecular Weight255.76 g/mol
Exact Mass255.12
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-amine
SMILESCC1(C)CCCC1NCc1c(F)cccc1Cl
InChIInChI=1S/C14H19ClFN/c1-14(2)8-4-7-13(14)17-9-10-11(15)5-3-6-12(10)16/h3,5-6,13,17H,4,7-9H2,1-2H3
InChIKeyKEOXWWIGHMVWTG-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

3-chloro-2-[[(2,2-dimethylcyclopentyl)amino]methyl]phenol
CID 79831452
N-[(2,6-difluorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 79861181
N-[(2-chloro-6-methoxyphenyl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 104816053
3-[(2-chloro-6-fluorophenyl)methylamino]-2,2-dimethylcyclobutan-1-ol
CID 115976632
N-[(4-chloro-3-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79861962
N-[(2-chloro-6-fluorophenyl)methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine
CID 103743110
N-[(2-chloro-6-fluorophenyl)methyl]cycloheptanamine
CID 4720325
N-[(2,4-difluorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 79835366
2-(2-chloro-6-fluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine
CID 107179470
1-(2,6-difluorophenyl)-2-[(2,2-dimethylcyclopentyl)amino]ethanol
CID 79871344
N-[(2-chloro-6-fluorophenyl)methyl]-3-methylcyclopentan-1-amine
CID 115652971
N-(2,6-difluorophenyl)-2-[(2,2-dimethylcyclopentyl)amino]acetamide
CID 79871200

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-amine?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-amine (CID 79861477) is N-[(2-chloro-6-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-amine.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-amine?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-amine is CC1(C)CCCC1NCc1c(F)cccc1Cl.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-amine?
The InChIKey is KEOXWWIGHMVWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFN/c1-14(2)8-4-7-13(14)17-9-10-11(15)5-3-6-12(10)16/h3,5-6,13,17H,4,7-9H2,1-2H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-amine?
N-[(2-chloro-6-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-[(2-chloro-6-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-amine is sourced from PubChem (CID 79861477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).