2-(3,4-dichlorophenyl)-1-(1-methylcyclohexyl)ethanamine

C15H21Cl2N — CID 106827645

IUPAC2-(3,4-dichlorophenyl)-1-(1-methylcyclohexyl)ethanamine
SMILESCC1(C(N)Cc2ccc(Cl)c(Cl)c2)CCCCC1
InChIInChI=1S/C15H21Cl2N/c1-15(7-3-2-4-8-15)14(18)10-11-5-6-12(16)13(17)9-11/h5-6,9,14H,2-4,7-8,10,18H2,1H3
InChIKeyBCZDTHDSBQAPBI-UHFFFAOYSA-N
MW286.25 g/mol
LogP4.83
Rot. Bonds3

About 2-(3,4-dichlorophenyl)-1-(1-methylcyclohexyl)ethanamine

2-(3,4-dichlorophenyl)-1-(1-methylcyclohexyl)ethanamine (PubChem CID 106827645) has the molecular formula C15H21Cl2N and a molecular weight of 286.25 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1-(1-methylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1-(1-methylcyclohexyl)ethanamine
PubChem CID106827645
Molecular FormulaC15H21Cl2N
Molecular Weight286.25 g/mol
Exact Mass285.11
IUPAC Name2-(3,4-dichlorophenyl)-1-(1-methylcyclohexyl)ethanamine
SMILESCC1(C(N)Cc2ccc(Cl)c(Cl)c2)CCCCC1
InChIInChI=1S/C15H21Cl2N/c1-15(7-3-2-4-8-15)14(18)10-11-5-6-12(16)13(17)9-11/h5-6,9,14H,2-4,7-8,10,18H2,1H3
InChIKeyBCZDTHDSBQAPBI-UHFFFAOYSA-N
XLogP4.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chlorophenyl)-1-(1-methylcyclohexyl)ethanamine
CID 106827634
2-(3,4-dimethylphenyl)-1-(1-methylcyclohexyl)ethanamine
CID 106827638
2-(3,4-dichlorophenyl)-N-ethyl-1-(1-methylcyclohexyl)ethanamine
CID 106827647
2-(3,4-dimethoxyphenyl)-1-(1-methylcyclohexyl)ethanamine
CID 106827566
2-(4-ethylphenyl)-1-(1-methylcyclopentyl)ethanamine
CID 115802920
2-(3,4-dichlorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine
CID 116764414
2-(3,4-dichlorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol
CID 79066196
2-(3,4-dichlorophenyl)-1-(4-ethoxyoxan-4-yl)ethanamine
CID 116765394
[2-(3-chloro-4-fluorophenyl)-1-(1-methylcyclohexyl)ethyl]hydrazine
CID 106831414
2-(5-ethyl-2-pyridinyl)-1-(1-methylcyclohexyl)ethanamine
CID 106830386
1-[(3,4-dichlorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 79834366
1-(3,4-dichlorophenyl)butan-2-amine;hydrochloride
CID 170888463

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1-(1-methylcyclohexyl)ethanamine?
The IUPAC name of 2-(3,4-dichlorophenyl)-1-(1-methylcyclohexyl)ethanamine (CID 106827645) is 2-(3,4-dichlorophenyl)-1-(1-methylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1-(1-methylcyclohexyl)ethanamine?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1-(1-methylcyclohexyl)ethanamine is CC1(C(N)Cc2ccc(Cl)c(Cl)c2)CCCCC1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1-(1-methylcyclohexyl)ethanamine?
The InChIKey is BCZDTHDSBQAPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N/c1-15(7-3-2-4-8-15)14(18)10-11-5-6-12(16)13(17)9-11/h5-6,9,14H,2-4,7-8,10,18H2,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-1-(1-methylcyclohexyl)ethanamine?
2-(3,4-dichlorophenyl)-1-(1-methylcyclohexyl)ethanamine has a molecular weight of 286.25 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-1-(1-methylcyclohexyl)ethanamine is sourced from PubChem (CID 106827645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).