2-(2-chloro-5-fluorophenyl)-N-ethylcyclohexan-1-amine

C14H19ClFN — CID 105395830

IUPAC2-(2-chloro-5-fluorophenyl)-N-ethylcyclohexan-1-amine
SMILESCCNC1CCCCC1c1cc(F)ccc1Cl
InChIInChI=1S/C14H19ClFN/c1-2-17-14-6-4-3-5-11(14)12-9-10(16)7-8-13(12)15/h7-9,11,14,17H,2-6H2,1H3
InChIKeyAMIYZHXRMMBANU-UHFFFAOYSA-N
MW255.76 g/mol
LogP4.11
Rot. Bonds3

About 2-(2-chloro-5-fluorophenyl)-N-ethylcyclohexan-1-amine

2-(2-chloro-5-fluorophenyl)-N-ethylcyclohexan-1-amine (PubChem CID 105395830) has the molecular formula C14H19ClFN and a molecular weight of 255.76 g/mol. Its IUPAC name is 2-(2-chloro-5-fluorophenyl)-N-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2-chloro-5-fluorophenyl)-N-ethylcyclohexan-1-amine
PubChem CID105395830
Molecular FormulaC14H19ClFN
Molecular Weight255.76 g/mol
Exact Mass255.12
IUPAC Name2-(2-chloro-5-fluorophenyl)-N-ethylcyclohexan-1-amine
SMILESCCNC1CCCCC1c1cc(F)ccc1Cl
InChIInChI=1S/C14H19ClFN/c1-2-17-14-6-4-3-5-11(14)12-9-10(16)7-8-13(12)15/h7-9,11,14,17H,2-6H2,1H3
InChIKeyAMIYZHXRMMBANU-UHFFFAOYSA-N
XLogP4.11
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 ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-2-(5-fluoro-2-methoxyphenyl)cycloheptan-1-amine
CID 82783172
2-(3,4-dichlorophenyl)-N-ethylcycloheptan-1-amine
CID 55197274
2-(2,5-difluorophenyl)-N-propylcyclopentan-1-amine
CID 62801737
N-ethyl-2-(5-fluoro-1-benzofuran-2-yl)cycloheptan-1-amine
CID 114732940
N-ethyl-2-(2,4,5-trimethylphenyl)cyclohexan-1-amine
CID 64990219
3-[(2-chloro-5-fluorophenyl)methyl]-N-ethyl-2-methylcyclopentan-1-amine
CID 102620493
2-(2,4-difluorophenyl)sulfanyl-N-ethylcyclohexan-1-amine
CID 64614748
N-ethyl-2-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine
CID 105372322
2-chloro-1-cyclohexyl-4-fluorobenzene;N-ethyl-3-fluorooxan-4-amine
CID 153338593
1-(2-chloro-4-fluorophenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine
CID 79397443
N-ethyl-2-(4-propan-2-ylphenyl)cyclohexan-1-amine
CID 63509813
2-(7-chloro-1-benzofuran-2-yl)-N-ethylcycloheptan-1-amine
CID 114732942

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluorophenyl)-N-ethylcyclohexan-1-amine?
The IUPAC name of 2-(2-chloro-5-fluorophenyl)-N-ethylcyclohexan-1-amine (CID 105395830) is 2-(2-chloro-5-fluorophenyl)-N-ethylcyclohexan-1-amine.
What is the SMILES notation for 2-(2-chloro-5-fluorophenyl)-N-ethylcyclohexan-1-amine?
The canonical SMILES for 2-(2-chloro-5-fluorophenyl)-N-ethylcyclohexan-1-amine is CCNC1CCCCC1c1cc(F)ccc1Cl.
What is the InChIKey of 2-(2-chloro-5-fluorophenyl)-N-ethylcyclohexan-1-amine?
The InChIKey is AMIYZHXRMMBANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFN/c1-2-17-14-6-4-3-5-11(14)12-9-10(16)7-8-13(12)15/h7-9,11,14,17H,2-6H2,1H3.
What are the key properties of 2-(2-chloro-5-fluorophenyl)-N-ethylcyclohexan-1-amine?
2-(2-chloro-5-fluorophenyl)-N-ethylcyclohexan-1-amine has a molecular weight of 255.76 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluorophenyl)-N-ethylcyclohexan-1-amine is sourced from PubChem (CID 105395830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).