2-(3,4-dimethylphenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine

C19H31NO — CID 116769197

IUPAC2-(3,4-dimethylphenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine
SMILESCOC1(C(N)Cc2ccc(C)c(C)c2)CCC(C)(C)CC1
InChIInChI=1S/C19H31NO/c1-14-6-7-16(12-15(14)2)13-17(20)19(21-5)10-8-18(3,4)9-11-19/h6-7,12,17H,8-11,13,20H2,1-5H3
InChIKeyNLJZUDIYAGTDAR-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.16
Rot. Bonds4

About 2-(3,4-dimethylphenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine

2-(3,4-dimethylphenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine (PubChem CID 116769197) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine
PubChem CID116769197
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name2-(3,4-dimethylphenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine
SMILESCOC1(C(N)Cc2ccc(C)c(C)c2)CCC(C)(C)CC1
InChIInChI=1S/C19H31NO/c1-14-6-7-16(12-15(14)2)13-17(20)19(21-5)10-8-18(3,4)9-11-19/h6-7,12,17H,8-11,13,20H2,1-5H3
InChIKeyNLJZUDIYAGTDAR-UHFFFAOYSA-N
XLogP4.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine
CID 116769029
2-(3,4-dimethylphenyl)-1-(1-methylcyclohexyl)ethanamine
CID 106827638
1-(1-methoxycyclopentyl)-2-(4-methylphenyl)ethanamine
CID 104610637
2-(3,4-dimethylphenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine
CID 116770211
2-(3,4-dimethylphenyl)-1-(1-methoxycyclohexyl)-N-methylethanamine
CID 116763039
2-(2,6-difluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine
CID 114932736
2-(5-chlorothiophen-2-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine
CID 116769036
1-[1-amino-2-(3,4-dimethylphenyl)ethyl]-N,N-dimethylcycloheptan-1-amine
CID 79063382
2-(3,4-dichlorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine
CID 116764414
2-(4-chloro-3-fluorophenyl)-1-(1-methoxycyclobutyl)ethanamine
CID 107885160
2-(5-fluoro-2-methylphenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine
CID 105374421
(2,4-dimethylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanamine
CID 116769039

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine?
The IUPAC name of 2-(3,4-dimethylphenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine (CID 116769197) is 2-(3,4-dimethylphenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine?
The canonical SMILES for 2-(3,4-dimethylphenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine is COC1(C(N)Cc2ccc(C)c(C)c2)CCC(C)(C)CC1.
What is the InChIKey of 2-(3,4-dimethylphenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine?
The InChIKey is NLJZUDIYAGTDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-14-6-7-16(12-15(14)2)13-17(20)19(21-5)10-8-18(3,4)9-11-19/h6-7,12,17H,8-11,13,20H2,1-5H3.
What are the key properties of 2-(3,4-dimethylphenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine?
2-(3,4-dimethylphenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine has a molecular weight of 289.46 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine is sourced from PubChem (CID 116769197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).