2-(3,4-dimethylcyclohexyl)oxy-1-(4-methylphenyl)ethanamine

C17H27NO — CID 64746525

IUPAC2-(3,4-dimethylcyclohexyl)oxy-1-(4-methylphenyl)ethanamine
SMILESCc1ccc(C(N)COC2CCC(C)C(C)C2)cc1
InChIInChI=1S/C17H27NO/c1-12-4-7-15(8-5-12)17(18)11-19-16-9-6-13(2)14(3)10-16/h4-5,7-8,13-14,16-17H,6,9-11,18H2,1-3H3
InChIKeyNEGYBBVBHDVYRC-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.84
Rot. Bonds4

About 2-(3,4-dimethylcyclohexyl)oxy-1-(4-methylphenyl)ethanamine

2-(3,4-dimethylcyclohexyl)oxy-1-(4-methylphenyl)ethanamine (PubChem CID 64746525) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-(3,4-dimethylcyclohexyl)oxy-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dimethylcyclohexyl)oxy-1-(4-methylphenyl)ethanamine
PubChem CID64746525
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-(3,4-dimethylcyclohexyl)oxy-1-(4-methylphenyl)ethanamine
SMILESCc1ccc(C(N)COC2CCC(C)C(C)C2)cc1
InChIInChI=1S/C17H27NO/c1-12-4-7-15(8-5-12)17(18)11-19-16-9-6-13(2)14(3)10-16/h4-5,7-8,13-14,16-17H,6,9-11,18H2,1-3H3
InChIKeyNEGYBBVBHDVYRC-UHFFFAOYSA-N
XLogP3.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dimethylcyclohexyl)oxy-1-(4-methylphenyl)ethanol
CID 64746176
2-cyclopentyloxy-1-(4-methylphenyl)ethanamine
CID 16787694
1-(4-methylphenyl)-2-(oxan-4-yloxy)ethanamine
CID 61287973
2-(4,4-dimethylcyclohexyl)oxy-1-(4-methylphenyl)ethanamine
CID 114340843
2-(4-methylcyclohexyl)oxy-1-(4-propan-2-ylphenyl)ethanamine
CID 43093849
1-(4-tert-butylphenyl)-2-(3-methylcyclohexyl)oxyethanamine
CID 43127981
2-(3,4-dimethylcyclohexyl)oxy-1-(4-ethylphenyl)-N-methylethanamine
CID 64745929
2-cyclopropyl-1-(4-methylphenyl)ethanamine
CID 22649613
1-[3-[(3,4-dimethylcyclohexyl)oxymethyl]-4-methoxyphenyl]ethanamine
CID 64746522
2-cyclobutyloxy-1-(4-propylphenyl)ethanamine
CID 62139683
2-(3,4-dimethylcyclohexyl)oxy-N-ethyl-1-(2-methylphenyl)ethanamine
CID 64744360
1-(4-ethylphenyl)-2-(oxolan-3-yloxy)ethanamine
CID 63559434

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylcyclohexyl)oxy-1-(4-methylphenyl)ethanamine?
The IUPAC name of 2-(3,4-dimethylcyclohexyl)oxy-1-(4-methylphenyl)ethanamine (CID 64746525) is 2-(3,4-dimethylcyclohexyl)oxy-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for 2-(3,4-dimethylcyclohexyl)oxy-1-(4-methylphenyl)ethanamine?
The canonical SMILES for 2-(3,4-dimethylcyclohexyl)oxy-1-(4-methylphenyl)ethanamine is Cc1ccc(C(N)COC2CCC(C)C(C)C2)cc1.
What is the InChIKey of 2-(3,4-dimethylcyclohexyl)oxy-1-(4-methylphenyl)ethanamine?
The InChIKey is NEGYBBVBHDVYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-12-4-7-15(8-5-12)17(18)11-19-16-9-6-13(2)14(3)10-16/h4-5,7-8,13-14,16-17H,6,9-11,18H2,1-3H3.
What are the key properties of 2-(3,4-dimethylcyclohexyl)oxy-1-(4-methylphenyl)ethanamine?
2-(3,4-dimethylcyclohexyl)oxy-1-(4-methylphenyl)ethanamine has a molecular weight of 261.41 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylcyclohexyl)oxy-1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 64746525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).