(3,4-dichlorophenyl)-(1-methoxy-3-methylcyclohexyl)methanamine

C15H21Cl2NO — CID 116767627

IUPAC(3,4-dichlorophenyl)-(1-methoxy-3-methylcyclohexyl)methanamine
SMILESCOC1(C(N)c2ccc(Cl)c(Cl)c2)CCCC(C)C1
InChIInChI=1S/C15H21Cl2NO/c1-10-4-3-7-15(9-10,19-2)14(18)11-5-6-12(16)13(17)8-11/h5-6,8,10,14H,3-4,7,9,18H2,1-2H3
InChIKeyJPVMIRDVCOEFIL-UHFFFAOYSA-N
MW302.25 g/mol
LogP4.59
Rot. Bonds3

About (3,4-dichlorophenyl)-(1-methoxy-3-methylcyclohexyl)methanamine

(3,4-dichlorophenyl)-(1-methoxy-3-methylcyclohexyl)methanamine (PubChem CID 116767627) has the molecular formula C15H21Cl2NO and a molecular weight of 302.25 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-(1-methoxy-3-methylcyclohexyl)methanamine.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-(1-methoxy-3-methylcyclohexyl)methanamine
PubChem CID116767627
Molecular FormulaC15H21Cl2NO
Molecular Weight302.25 g/mol
Exact Mass301.10
IUPAC Name(3,4-dichlorophenyl)-(1-methoxy-3-methylcyclohexyl)methanamine
SMILESCOC1(C(N)c2ccc(Cl)c(Cl)c2)CCCC(C)C1
InChIInChI=1S/C15H21Cl2NO/c1-10-4-3-7-15(9-10,19-2)14(18)11-5-6-12(16)13(17)8-11/h5-6,8,10,14H,3-4,7,9,18H2,1-2H3
InChIKeyJPVMIRDVCOEFIL-UHFFFAOYSA-N
XLogP4.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chloro-4-methylphenyl)-(1-methoxy-3-methylcyclohexyl)methanamine
CID 107560765
[(4-chlorophenyl)-(1-methoxy-3-methylcyclohexyl)methyl]hydrazine
CID 105277509
2-(4-bromo-2-chlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine
CID 116767463
1-[amino-(3,4-dichlorophenyl)methyl]-N,N,4-trimethylcyclohexan-1-amine
CID 79074952
1-(1-methoxy-3-methylcyclohexyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 116767757
(4-methoxy-2,5-dimethylphenyl)-(1-methoxy-3-methylcyclohexyl)methanamine
CID 116767593
(3,4-dichlorophenyl)-(3-methylcyclohexyl)methanamine
CID 55185865
1-(1-methoxy-3-methylcyclohexyl)-2-pyridin-4-ylethanamine
CID 116767493
(7-fluoro-1-benzofuran-2-yl)-(1-methoxy-3-methylcyclohexyl)methanamine
CID 114731470
2-(3,5-dimethylphenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine
CID 116767540
2-(2-chlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanol
CID 116754964
1-(2-chlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine
CID 116767849

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-(1-methoxy-3-methylcyclohexyl)methanamine?
The IUPAC name of (3,4-dichlorophenyl)-(1-methoxy-3-methylcyclohexyl)methanamine (CID 116767627) is (3,4-dichlorophenyl)-(1-methoxy-3-methylcyclohexyl)methanamine.
What is the SMILES notation for (3,4-dichlorophenyl)-(1-methoxy-3-methylcyclohexyl)methanamine?
The canonical SMILES for (3,4-dichlorophenyl)-(1-methoxy-3-methylcyclohexyl)methanamine is COC1(C(N)c2ccc(Cl)c(Cl)c2)CCCC(C)C1.
What is the InChIKey of (3,4-dichlorophenyl)-(1-methoxy-3-methylcyclohexyl)methanamine?
The InChIKey is JPVMIRDVCOEFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO/c1-10-4-3-7-15(9-10,19-2)14(18)11-5-6-12(16)13(17)8-11/h5-6,8,10,14H,3-4,7,9,18H2,1-2H3.
What are the key properties of (3,4-dichlorophenyl)-(1-methoxy-3-methylcyclohexyl)methanamine?
(3,4-dichlorophenyl)-(1-methoxy-3-methylcyclohexyl)methanamine has a molecular weight of 302.25 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-(1-methoxy-3-methylcyclohexyl)methanamine is sourced from PubChem (CID 116767627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).