(2,4-dichlorophenyl)-(3-ethylcyclohexyl)methanamine

C15H21Cl2N — CID 104992313

IUPAC(2,4-dichlorophenyl)-(3-ethylcyclohexyl)methanamine
SMILESCCC1CCCC(C(N)c2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C15H21Cl2N/c1-2-10-4-3-5-11(8-10)15(18)13-7-6-12(16)9-14(13)17/h6-7,9-11,15H,2-5,8,18H2,1H3
InChIKeyLAUBFZWWWJPCFR-UHFFFAOYSA-N
MW286.25 g/mol
LogP5.21
Rot. Bonds3

About (2,4-dichlorophenyl)-(3-ethylcyclohexyl)methanamine

(2,4-dichlorophenyl)-(3-ethylcyclohexyl)methanamine (PubChem CID 104992313) has the molecular formula C15H21Cl2N and a molecular weight of 286.25 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-(3-ethylcyclohexyl)methanamine.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-(3-ethylcyclohexyl)methanamine
PubChem CID104992313
Molecular FormulaC15H21Cl2N
Molecular Weight286.25 g/mol
Exact Mass285.11
IUPAC Name(2,4-dichlorophenyl)-(3-ethylcyclohexyl)methanamine
SMILESCCC1CCCC(C(N)c2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C15H21Cl2N/c1-2-10-4-3-5-11(8-10)15(18)13-7-6-12(16)9-14(13)17/h6-7,9-11,15H,2-5,8,18H2,1H3
InChIKeyLAUBFZWWWJPCFR-UHFFFAOYSA-N
XLogP5.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.25
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2,4-dimethylphenyl)-(3-ethylcyclohexyl)methanamine
CID 65415138
(R)-cyclopropyl-(2,4-dichlorophenyl)methanamine;hydrochloride
CID 171212549
(3-ethylcyclohexyl)-(2,4,5-trimethylphenyl)methanamine
CID 65415344
(S)-(2-chloro-4-methylphenyl)-cyclobutylmethanamine
CID 99737681
(2,4-dimethoxyphenyl)-(3-ethylcyclohexyl)methanamine
CID 65414537
(R)-cyclobutyl-(2,5-dichlorophenyl)methanamine
CID 130055186
(2,6-difluorophenyl)-(3-ethylcyclohexyl)methanamine
CID 65412911
[2-cyclobutyl-1-(2,4-dichlorophenyl)ethyl]hydrazine
CID 105309988
(5-chloro-2-fluorophenyl)-(4-ethylcyclohexyl)methanamine
CID 114885926
[(4-chlorophenyl)-(3-ethylcyclohexyl)methyl]hydrazine
CID 105193324
(3-ethylcyclohexyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 82770138
(2-chloro-4-methylphenyl)-cycloheptylmethanamine
CID 106858433

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-(3-ethylcyclohexyl)methanamine?
The IUPAC name of (2,4-dichlorophenyl)-(3-ethylcyclohexyl)methanamine (CID 104992313) is (2,4-dichlorophenyl)-(3-ethylcyclohexyl)methanamine.
What is the SMILES notation for (2,4-dichlorophenyl)-(3-ethylcyclohexyl)methanamine?
The canonical SMILES for (2,4-dichlorophenyl)-(3-ethylcyclohexyl)methanamine is CCC1CCCC(C(N)c2ccc(Cl)cc2Cl)C1.
What is the InChIKey of (2,4-dichlorophenyl)-(3-ethylcyclohexyl)methanamine?
The InChIKey is LAUBFZWWWJPCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N/c1-2-10-4-3-5-11(8-10)15(18)13-7-6-12(16)9-14(13)17/h6-7,9-11,15H,2-5,8,18H2,1H3.
What are the key properties of (2,4-dichlorophenyl)-(3-ethylcyclohexyl)methanamine?
(2,4-dichlorophenyl)-(3-ethylcyclohexyl)methanamine has a molecular weight of 286.25 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-(3-ethylcyclohexyl)methanamine is sourced from PubChem (CID 104992313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).