1-[2-[(2,3-dichlorophenyl)methyl]-4-ethylcyclohexyl]-N-methylmethanamine

C17H25Cl2N — CID 107311092

IUPAC1-[2-[(2,3-dichlorophenyl)methyl]-4-ethylcyclohexyl]-N-methylmethanamine
SMILESCCC1CCC(CNC)C(Cc2cccc(Cl)c2Cl)C1
InChIInChI=1S/C17H25Cl2N/c1-3-12-7-8-14(11-20-2)15(9-12)10-13-5-4-6-16(18)17(13)19/h4-6,12,14-15,20H,3,7-11H2,1-2H3
InChIKeyBNPUUWDBEGEWTB-UHFFFAOYSA-N
MW314.30 g/mol
LogP5.20
Rot. Bonds5

About 1-[2-[(2,3-dichlorophenyl)methyl]-4-ethylcyclohexyl]-N-methylmethanamine

1-[2-[(2,3-dichlorophenyl)methyl]-4-ethylcyclohexyl]-N-methylmethanamine (PubChem CID 107311092) has the molecular formula C17H25Cl2N and a molecular weight of 314.30 g/mol. Its IUPAC name is 1-[2-[(2,3-dichlorophenyl)methyl]-4-ethylcyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(2,3-dichlorophenyl)methyl]-4-ethylcyclohexyl]-N-methylmethanamine
PubChem CID107311092
Molecular FormulaC17H25Cl2N
Molecular Weight314.30 g/mol
Exact Mass313.14
IUPAC Name1-[2-[(2,3-dichlorophenyl)methyl]-4-ethylcyclohexyl]-N-methylmethanamine
SMILESCCC1CCC(CNC)C(Cc2cccc(Cl)c2Cl)C1
InChIInChI=1S/C17H25Cl2N/c1-3-12-7-8-14(11-20-2)15(9-12)10-13-5-4-6-16(18)17(13)19/h4-6,12,14-15,20H,3,7-11H2,1-2H3
InChIKeyBNPUUWDBEGEWTB-UHFFFAOYSA-N
XLogP5.20
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 ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2,3-dichlorophenyl)methyl]-N,4-diethylcyclohexan-1-amine
CID 107307078
1-[4-ethyl-2-[(2-methoxyphenyl)methyl]cyclohexyl]-N-methylmethanamine
CID 81032383
1-[2-[(3-chloro-2-fluorophenyl)methyl]cyclobutyl]-N-methylmethanamine
CID 102864397
2-[(2-chlorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 55185968
1-[2-[(2-fluorophenyl)methyl]-4-propylcyclohexyl]-N-methylmethanamine
CID 81029072
1-[4-ethyl-2-(pyridin-4-ylmethyl)cyclohexyl]-N-methylmethanamine
CID 81031325
1-[2-[(3-chloro-2-fluorophenyl)methyl]cycloheptyl]-N-methylmethanamine
CID 102864464
1-[4-ethyl-2-(pyridin-3-ylmethyl)cyclohexyl]-N-methylmethanamine
CID 113447096
1-[2-(7-chloro-1-benzofuran-2-yl)-4-ethylcyclohexyl]-N-methylmethanamine
CID 114735860
1-[2-(2,3-dihydro-1H-inden-5-ylmethyl)-4-ethylcyclohexyl]-N-methylmethanamine
CID 81033022
N-[[2-[(2,3-dichlorophenyl)methyl]-4,4-dimethylcyclohexyl]methyl]ethanamine
CID 107311097
N-[[2-[(3-chlorophenyl)methyl]-4-ethylcyclohexyl]methyl]ethanamine
CID 81029934

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,3-dichlorophenyl)methyl]-4-ethylcyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(2,3-dichlorophenyl)methyl]-4-ethylcyclohexyl]-N-methylmethanamine (CID 107311092) is 1-[2-[(2,3-dichlorophenyl)methyl]-4-ethylcyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(2,3-dichlorophenyl)methyl]-4-ethylcyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(2,3-dichlorophenyl)methyl]-4-ethylcyclohexyl]-N-methylmethanamine is CCC1CCC(CNC)C(Cc2cccc(Cl)c2Cl)C1.
What is the InChIKey of 1-[2-[(2,3-dichlorophenyl)methyl]-4-ethylcyclohexyl]-N-methylmethanamine?
The InChIKey is BNPUUWDBEGEWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl2N/c1-3-12-7-8-14(11-20-2)15(9-12)10-13-5-4-6-16(18)17(13)19/h4-6,12,14-15,20H,3,7-11H2,1-2H3.
What are the key properties of 1-[2-[(2,3-dichlorophenyl)methyl]-4-ethylcyclohexyl]-N-methylmethanamine?
1-[2-[(2,3-dichlorophenyl)methyl]-4-ethylcyclohexyl]-N-methylmethanamine has a molecular weight of 314.30 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,3-dichlorophenyl)methyl]-4-ethylcyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 107311092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).