2-[(2,3-dichlorophenyl)methyl]-N,4-diethylcyclohexan-1-amine

C17H25Cl2N — CID 107307078

IUPAC2-[(2,3-dichlorophenyl)methyl]-N,4-diethylcyclohexan-1-amine
SMILESCCNC1CCC(CC)CC1Cc1cccc(Cl)c1Cl
InChIInChI=1S/C17H25Cl2N/c1-3-12-8-9-16(20-4-2)14(10-12)11-13-6-5-7-15(18)17(13)19/h5-7,12,14,16,20H,3-4,8-11H2,1-2H3
InChIKeyJWRMBCKOMHAJGE-UHFFFAOYSA-N
MW314.30 g/mol
LogP5.34
Rot. Bonds5

About 2-[(2,3-dichlorophenyl)methyl]-N,4-diethylcyclohexan-1-amine

2-[(2,3-dichlorophenyl)methyl]-N,4-diethylcyclohexan-1-amine (PubChem CID 107307078) has the molecular formula C17H25Cl2N and a molecular weight of 314.30 g/mol. Its IUPAC name is 2-[(2,3-dichlorophenyl)methyl]-N,4-diethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(2,3-dichlorophenyl)methyl]-N,4-diethylcyclohexan-1-amine
PubChem CID107307078
Molecular FormulaC17H25Cl2N
Molecular Weight314.30 g/mol
Exact Mass313.14
IUPAC Name2-[(2,3-dichlorophenyl)methyl]-N,4-diethylcyclohexan-1-amine
SMILESCCNC1CCC(CC)CC1Cc1cccc(Cl)c1Cl
InChIInChI=1S/C17H25Cl2N/c1-3-12-8-9-16(20-4-2)14(10-12)11-13-6-5-7-15(18)17(13)19/h5-7,12,14,16,20H,3-4,8-11H2,1-2H3
InChIKeyJWRMBCKOMHAJGE-UHFFFAOYSA-N
XLogP5.34
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 ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-[(2,3-dichlorophenyl)methyl]-4-ethylcyclohexyl]-N-methylmethanamine
CID 107311092
2-[(3-chloro-2-fluorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine
CID 102856558
2-[(2,6-dichlorophenyl)methyl]-N-ethyl-4-propylcyclohexan-1-amine
CID 63401618
2-[(2-chlorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 55185968
2-[(2-bromophenyl)methyl]-4-ethyl-N-methylcyclohexan-1-amine
CID 55186350
N-ethyl-N-[[5-ethyl-2-(ethylamino)cyclohexyl]methyl]aniline
CID 63482884
2-[(5-chloro-2-fluorophenyl)methyl]-4-ethyl-N-propylcyclohexan-1-amine
CID 103047226
1-[(2-chloro-5-ethylcyclohexyl)methyl]naphthalene
CID 63461697
2-(2,3-dichlorophenyl)-N-ethyl-1-(3-ethylcyclohexyl)ethanamine
CID 107308723
3-[(2,3-dichlorophenyl)methyl]cyclopentan-1-ol
CID 107310340
N-[[5-ethyl-2-(ethylamino)cyclohexyl]methyl]-N,3-dimethylaniline
CID 63494608
N,4-diethyl-2-[(2-methylphenyl)methylsulfanyl]cyclohexan-1-amine
CID 64634391

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dichlorophenyl)methyl]-N,4-diethylcyclohexan-1-amine?
The IUPAC name of 2-[(2,3-dichlorophenyl)methyl]-N,4-diethylcyclohexan-1-amine (CID 107307078) is 2-[(2,3-dichlorophenyl)methyl]-N,4-diethylcyclohexan-1-amine.
What is the SMILES notation for 2-[(2,3-dichlorophenyl)methyl]-N,4-diethylcyclohexan-1-amine?
The canonical SMILES for 2-[(2,3-dichlorophenyl)methyl]-N,4-diethylcyclohexan-1-amine is CCNC1CCC(CC)CC1Cc1cccc(Cl)c1Cl.
What is the InChIKey of 2-[(2,3-dichlorophenyl)methyl]-N,4-diethylcyclohexan-1-amine?
The InChIKey is JWRMBCKOMHAJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl2N/c1-3-12-8-9-16(20-4-2)14(10-12)11-13-6-5-7-15(18)17(13)19/h5-7,12,14,16,20H,3-4,8-11H2,1-2H3.
What are the key properties of 2-[(2,3-dichlorophenyl)methyl]-N,4-diethylcyclohexan-1-amine?
2-[(2,3-dichlorophenyl)methyl]-N,4-diethylcyclohexan-1-amine has a molecular weight of 314.30 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dichlorophenyl)methyl]-N,4-diethylcyclohexan-1-amine is sourced from PubChem (CID 107307078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).