(3-chloro-4-fluorophenyl)-(2-ethylcyclohexyl)methanamine

C15H21ClFN — CID 63863285

IUPAC(3-chloro-4-fluorophenyl)-(2-ethylcyclohexyl)methanamine
SMILESCCC1CCCCC1C(N)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H21ClFN/c1-2-10-5-3-4-6-12(10)15(18)11-7-8-14(17)13(16)9-11/h7-10,12,15H,2-6,18H2,1H3
InChIKeyCHTOMKMMVKRWAG-UHFFFAOYSA-N
MW269.79 g/mol
LogP4.70
Rot. Bonds3

About (3-chloro-4-fluorophenyl)-(2-ethylcyclohexyl)methanamine

(3-chloro-4-fluorophenyl)-(2-ethylcyclohexyl)methanamine (PubChem CID 63863285) has the molecular formula C15H21ClFN and a molecular weight of 269.79 g/mol. Its IUPAC name is (3-chloro-4-fluorophenyl)-(2-ethylcyclohexyl)methanamine.

Molecular Properties

Compound Name(3-chloro-4-fluorophenyl)-(2-ethylcyclohexyl)methanamine
PubChem CID63863285
Molecular FormulaC15H21ClFN
Molecular Weight269.79 g/mol
Exact Mass269.13
IUPAC Name(3-chloro-4-fluorophenyl)-(2-ethylcyclohexyl)methanamine
SMILESCCC1CCCCC1C(N)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H21ClFN/c1-2-10-5-3-4-6-12(10)15(18)11-7-8-14(17)13(16)9-11/h7-10,12,15H,2-6,18H2,1H3
InChIKeyCHTOMKMMVKRWAG-UHFFFAOYSA-N
XLogP4.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.79
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-4-chlorophenyl)-(2-ethylcyclohexyl)methanamine
CID 115566736
(2-ethylcyclohexyl)-(3,4,5-trifluorophenyl)methanamine
CID 63861115
(3-chloro-4-fluorophenyl)-cyclohexylmethanamine
CID 63093302
(2-chloro-4-fluorophenyl)-(2-ethylcyclohexyl)methanamine
CID 63861305
(4-bromophenyl)-(2-ethylcyclohexyl)methanamine
CID 55251169
(R)-(3-chloro-4-fluorophenyl)-(oxan-4-yl)methanamine
CID 131491152
1-(3,4-dichlorophenyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine
CID 81492344
1-(3-chloro-4-fluorophenyl)-N-cyclopentyl-N-ethylethane-1,2-diamine
CID 81144764
(3-chloro-4-fluorophenyl)-piperidin-3-ylmethanamine
CID 116935836
(3-chloro-4-fluorophenyl)-[1-(1,1,1-trifluoropropan-2-yl)piperidin-4-yl]methanamine
CID 166045419
(2-ethylcyclohexyl)-(5-methyl-3-pyridinyl)methanamine
CID 105151254
(2-ethylcyclohexyl)-(5-fluoro-2-pyridinyl)methanamine
CID 79722319

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-fluorophenyl)-(2-ethylcyclohexyl)methanamine?
The IUPAC name of (3-chloro-4-fluorophenyl)-(2-ethylcyclohexyl)methanamine (CID 63863285) is (3-chloro-4-fluorophenyl)-(2-ethylcyclohexyl)methanamine.
What is the SMILES notation for (3-chloro-4-fluorophenyl)-(2-ethylcyclohexyl)methanamine?
The canonical SMILES for (3-chloro-4-fluorophenyl)-(2-ethylcyclohexyl)methanamine is CCC1CCCCC1C(N)c1ccc(F)c(Cl)c1.
What is the InChIKey of (3-chloro-4-fluorophenyl)-(2-ethylcyclohexyl)methanamine?
The InChIKey is CHTOMKMMVKRWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFN/c1-2-10-5-3-4-6-12(10)15(18)11-7-8-14(17)13(16)9-11/h7-10,12,15H,2-6,18H2,1H3.
What are the key properties of (3-chloro-4-fluorophenyl)-(2-ethylcyclohexyl)methanamine?
(3-chloro-4-fluorophenyl)-(2-ethylcyclohexyl)methanamine has a molecular weight of 269.79 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-fluorophenyl)-(2-ethylcyclohexyl)methanamine is sourced from PubChem (CID 63863285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).