N-[(2,5-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine

C15H21Cl2N — CID 65316024

IUPACN-[(2,5-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(NCc2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C15H21Cl2N/c1-2-11-3-6-14(7-4-11)18-10-12-9-13(16)5-8-15(12)17/h5,8-9,11,14,18H,2-4,6-7,10H2,1H3
InChIKeyUYJMYOZOEHUZSV-UHFFFAOYSA-N
MW286.25 g/mol
LogP5.05
Rot. Bonds4

About N-[(2,5-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine

N-[(2,5-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine (PubChem CID 65316024) has the molecular formula C15H21Cl2N and a molecular weight of 286.25 g/mol. Its IUPAC name is N-[(2,5-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(2,5-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine
PubChem CID65316024
Molecular FormulaC15H21Cl2N
Molecular Weight286.25 g/mol
Exact Mass285.11
IUPAC NameN-[(2,5-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(NCc2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C15H21Cl2N/c1-2-11-3-6-14(7-4-11)18-10-12-9-13(16)5-8-15(12)17/h5,8-9,11,14,18H,2-4,6-7,10H2,1H3
InChIKeyUYJMYOZOEHUZSV-UHFFFAOYSA-N
XLogP5.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.25
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,5-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 65316304
N-[(3,5-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 63456354
N-[(2,6-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 63454775
N-[(2,5-dichlorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 65317887
N-[(5-chloro-2-fluorophenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 114841579
N-[[5-chloro-2-(2-methylpropyl)phenyl]methyl]cyclopropanamine
CID 66161100
4-ethyl-N-[(4-fluoro-3-methylphenyl)methyl]cyclohexan-1-amine
CID 63453712
N-cyclopropyl-N'-[(2,5-dichlorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 65317346
N-[4-(2,5-dichlorophenyl)-3,3-dimethylbutyl]cyclopropanamine
CID 81023564
N-[(2,5-dichlorophenyl)methyl]-2,2-dimethyloxan-4-amine
CID 113336602
N-[(2,5-dichlorophenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 65317315
N-[[4-chloro-2-(2,5-dichlorophenoxy)phenyl]methyl]cyclopropanamine
CID 114855307

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine?
The IUPAC name of N-[(2,5-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine (CID 65316024) is N-[(2,5-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine.
What is the SMILES notation for N-[(2,5-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine?
The canonical SMILES for N-[(2,5-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine is CCC1CCC(NCc2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of N-[(2,5-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine?
The InChIKey is UYJMYOZOEHUZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N/c1-2-11-3-6-14(7-4-11)18-10-12-9-13(16)5-8-15(12)17/h5,8-9,11,14,18H,2-4,6-7,10H2,1H3.
What are the key properties of N-[(2,5-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine?
N-[(2,5-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine has a molecular weight of 286.25 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine is sourced from PubChem (CID 65316024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).