N-[(2,4-dichlorophenyl)-(4-ethylcyclohexyl)methyl]ethanamine

C17H25Cl2N — CID 104990929

IUPACN-[(2,4-dichlorophenyl)-(4-ethylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)cc1Cl)C1CCC(CC)CC1
InChIInChI=1S/C17H25Cl2N/c1-3-12-5-7-13(8-6-12)17(20-4-2)15-10-9-14(18)11-16(15)19/h9-13,17,20H,3-8H2,1-2H3
InChIKeyNUSXLGXKSMBCSK-UHFFFAOYSA-N
MW314.30 g/mol
LogP5.86
Rot. Bonds5

About N-[(2,4-dichlorophenyl)-(4-ethylcyclohexyl)methyl]ethanamine

N-[(2,4-dichlorophenyl)-(4-ethylcyclohexyl)methyl]ethanamine (PubChem CID 104990929) has the molecular formula C17H25Cl2N and a molecular weight of 314.30 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)-(4-ethylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)-(4-ethylcyclohexyl)methyl]ethanamine
PubChem CID104990929
Molecular FormulaC17H25Cl2N
Molecular Weight314.30 g/mol
Exact Mass313.14
IUPAC NameN-[(2,4-dichlorophenyl)-(4-ethylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)cc1Cl)C1CCC(CC)CC1
InChIInChI=1S/C17H25Cl2N/c1-3-12-5-7-13(8-6-12)17(20-4-2)15-10-9-14(18)11-16(15)19/h9-13,17,20H,3-8H2,1-2H3
InChIKeyNUSXLGXKSMBCSK-UHFFFAOYSA-N
XLogP5.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.30
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[cyclohexyl-(2,4-dichlorophenyl)methyl]ethanamine
CID 55195117
N-[(2-bromo-3,4-difluorophenyl)-(4-ethylcyclohexyl)methyl]ethanamine
CID 107539192
N-[cyclohexyl-(2,5-dichlorophenyl)methyl]ethanamine
CID 43492976
1-(5-chloro-2-methylphenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 104990914
N-[(4-chloro-2-fluorophenyl)-(oxan-4-yl)methyl]ethanamine
CID 63936493
N-[(5-bromo-2-chlorophenyl)-cyclopropylmethyl]ethanamine
CID 104994290
1-(4-chlorophenyl)-1-cyclopropyl-N-[(4-ethylcyclohexyl)methyl]methanamine
CID 63451555
N-[(2,4-dichlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine
CID 105052961
N-[(3,5-dichloro-2-pyridinyl)-(4-ethylcyclohexyl)methyl]propan-1-amine
CID 79784078
2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(4-ethylcyclohexyl)ethanamine
CID 103040129
N-[cyclopropyl-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 62791719
(5-chloro-2-fluorophenyl)-(4-ethylcyclohexyl)methanamine
CID 114885926

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)-(4-ethylcyclohexyl)methyl]ethanamine?
The IUPAC name of N-[(2,4-dichlorophenyl)-(4-ethylcyclohexyl)methyl]ethanamine (CID 104990929) is N-[(2,4-dichlorophenyl)-(4-ethylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,4-dichlorophenyl)-(4-ethylcyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[(2,4-dichlorophenyl)-(4-ethylcyclohexyl)methyl]ethanamine is CCNC(c1ccc(Cl)cc1Cl)C1CCC(CC)CC1.
What is the InChIKey of N-[(2,4-dichlorophenyl)-(4-ethylcyclohexyl)methyl]ethanamine?
The InChIKey is NUSXLGXKSMBCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl2N/c1-3-12-5-7-13(8-6-12)17(20-4-2)15-10-9-14(18)11-16(15)19/h9-13,17,20H,3-8H2,1-2H3.
What are the key properties of N-[(2,4-dichlorophenyl)-(4-ethylcyclohexyl)methyl]ethanamine?
N-[(2,4-dichlorophenyl)-(4-ethylcyclohexyl)methyl]ethanamine has a molecular weight of 314.30 g/mol, XLogP of 5.86, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)-(4-ethylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 104990929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).