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

C15H21ClFN — CID 63861305

IUPAC(2-chloro-4-fluorophenyl)-(2-ethylcyclohexyl)methanamine
SMILESCCC1CCCCC1C(N)c1ccc(F)cc1Cl
InChIInChI=1S/C15H21ClFN/c1-2-10-5-3-4-6-12(10)15(18)13-8-7-11(17)9-14(13)16/h7-10,12,15H,2-6,18H2,1H3
InChIKeyKKEFIADPAYRRDB-UHFFFAOYSA-N
MW269.79 g/mol
LogP4.70
Rot. Bonds3

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

(2-chloro-4-fluorophenyl)-(2-ethylcyclohexyl)methanamine (PubChem CID 63861305) has the molecular formula C15H21ClFN and a molecular weight of 269.79 g/mol. Its IUPAC name is (2-chloro-4-fluorophenyl)-(2-ethylcyclohexyl)methanamine.

Molecular Properties

Compound Name(2-chloro-4-fluorophenyl)-(2-ethylcyclohexyl)methanamine
PubChem CID63861305
Molecular FormulaC15H21ClFN
Molecular Weight269.79 g/mol
Exact Mass269.13
IUPAC Name(2-chloro-4-fluorophenyl)-(2-ethylcyclohexyl)methanamine
SMILESCCC1CCCCC1C(N)c1ccc(F)cc1Cl
InChIInChI=1S/C15H21ClFN/c1-2-10-5-3-4-6-12(10)15(18)13-8-7-11(17)9-14(13)16/h7-10,12,15H,2-6,18H2,1H3
InChIKeyKKEFIADPAYRRDB-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

(2-chloro-4-fluorophenyl)-(2-ethylcyclohexyl)methanol
CID 63861648
(3-chloro-4-fluorophenyl)-(2-ethylcyclohexyl)methanamine
CID 63863285
(2-ethylcyclohexyl)-(5-fluoro-2-pyridinyl)methanamine
CID 79722319
(3-bromo-4-chlorophenyl)-(2-ethylcyclohexyl)methanamine
CID 115566736
(2-ethylcyclohexyl)-(3,4,5-trifluorophenyl)methanamine
CID 63861115
1-(2-chloro-4-fluorophenyl)ethane-1,2-diamine
CID 55270283
(S)-(2-chloro-4-fluorophenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171241068
(S)-(2-chloro-5-fluorophenyl)-cyclopentylmethanamine
CID 131512229
1-(2-chloro-4-fluorophenyl)ethanamine
CID 18542888
2-(2-chloro-4-fluorophenyl)pentan-3-amine
CID 79308367
2-(3,5-difluorophenyl)-1-(2-ethylcyclohexyl)ethanamine
CID 63862912
(1S,2R)-1-amino-1-(2-chloro-4-fluorophenyl)butan-2-ol
CID 131038068

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluorophenyl)-(2-ethylcyclohexyl)methanamine?
The IUPAC name of (2-chloro-4-fluorophenyl)-(2-ethylcyclohexyl)methanamine (CID 63861305) is (2-chloro-4-fluorophenyl)-(2-ethylcyclohexyl)methanamine.
What is the SMILES notation for (2-chloro-4-fluorophenyl)-(2-ethylcyclohexyl)methanamine?
The canonical SMILES for (2-chloro-4-fluorophenyl)-(2-ethylcyclohexyl)methanamine is CCC1CCCCC1C(N)c1ccc(F)cc1Cl.
What is the InChIKey of (2-chloro-4-fluorophenyl)-(2-ethylcyclohexyl)methanamine?
The InChIKey is KKEFIADPAYRRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFN/c1-2-10-5-3-4-6-12(10)15(18)13-8-7-11(17)9-14(13)16/h7-10,12,15H,2-6,18H2,1H3.
What are the key properties of (2-chloro-4-fluorophenyl)-(2-ethylcyclohexyl)methanamine?
(2-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 (2-chloro-4-fluorophenyl)-(2-ethylcyclohexyl)methanamine is sourced from PubChem (CID 63861305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).