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

C15H21ClFN — CID 114885926

IUPAC(5-chloro-2-fluorophenyl)-(4-ethylcyclohexyl)methanamine
SMILESCCC1CCC(C(N)c2cc(Cl)ccc2F)CC1
InChIInChI=1S/C15H21ClFN/c1-2-10-3-5-11(6-4-10)15(18)13-9-12(16)7-8-14(13)17/h7-11,15H,2-6,18H2,1H3
InChIKeyVRFINZVEACMITL-UHFFFAOYSA-N
MW269.79 g/mol
LogP4.70
Rot. Bonds3

About (5-chloro-2-fluorophenyl)-(4-ethylcyclohexyl)methanamine

(5-chloro-2-fluorophenyl)-(4-ethylcyclohexyl)methanamine (PubChem CID 114885926) has the molecular formula C15H21ClFN and a molecular weight of 269.79 g/mol. Its IUPAC name is (5-chloro-2-fluorophenyl)-(4-ethylcyclohexyl)methanamine.

Molecular Properties

Compound Name(5-chloro-2-fluorophenyl)-(4-ethylcyclohexyl)methanamine
PubChem CID114885926
Molecular FormulaC15H21ClFN
Molecular Weight269.79 g/mol
Exact Mass269.13
IUPAC Name(5-chloro-2-fluorophenyl)-(4-ethylcyclohexyl)methanamine
SMILESCCC1CCC(C(N)c2cc(Cl)ccc2F)CC1
InChIInChI=1S/C15H21ClFN/c1-2-10-3-5-11(6-4-10)15(18)13-9-12(16)7-8-14(13)17/h7-11,15H,2-6,18H2,1H3
InChIKeyVRFINZVEACMITL-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

Analyze (5-chloro-2-fluorophenyl)-(4-ethylcyclohexyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-chloro-2-methylphenyl)-(4-ethylcyclohexyl)methanamine
CID 104990915
(R)-(5-chloro-2-fluorophenyl)-cyclohexylmethanamine;hydrochloride
CID 171202097
(2,5-dichlorophenyl)-(4-propylcyclohexyl)methanamine
CID 65423953
(4-butylcyclohexyl)-(2,5-difluorophenyl)methanamine
CID 43100104
(2,3-dichlorophenyl)-(4-ethylcyclohexyl)methanamine
CID 65393105
(5-chloro-1-benzofuran-2-yl)-(4-ethylcyclohexyl)methanamine
CID 114729198
3-[amino(cyclopropyl)methyl]-4-fluorophenol
CID 55296615
1-(5-chloro-2-methylphenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 104990914
(5-bromo-2-fluorophenyl)-cyclopropylmethanamine;hydrochloride
CID 155487191
(2,4-dichlorophenyl)-(3-ethylcyclohexyl)methanamine
CID 104992313
(R)-(2-bromo-5-chlorophenyl)-cyclopropylmethanamine
CID 97290672
cyclobutyl-(2-fluoro-5-methylphenyl)methanamine
CID 64986676

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-fluorophenyl)-(4-ethylcyclohexyl)methanamine?
The IUPAC name of (5-chloro-2-fluorophenyl)-(4-ethylcyclohexyl)methanamine (CID 114885926) is (5-chloro-2-fluorophenyl)-(4-ethylcyclohexyl)methanamine.
What is the SMILES notation for (5-chloro-2-fluorophenyl)-(4-ethylcyclohexyl)methanamine?
The canonical SMILES for (5-chloro-2-fluorophenyl)-(4-ethylcyclohexyl)methanamine is CCC1CCC(C(N)c2cc(Cl)ccc2F)CC1.
What is the InChIKey of (5-chloro-2-fluorophenyl)-(4-ethylcyclohexyl)methanamine?
The InChIKey is VRFINZVEACMITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFN/c1-2-10-3-5-11(6-4-10)15(18)13-9-12(16)7-8-14(13)17/h7-11,15H,2-6,18H2,1H3.
What are the key properties of (5-chloro-2-fluorophenyl)-(4-ethylcyclohexyl)methanamine?
(5-chloro-2-fluorophenyl)-(4-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 (5-chloro-2-fluorophenyl)-(4-ethylcyclohexyl)methanamine is sourced from PubChem (CID 114885926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).