1-(4-tert-butylphenyl)-2-(3-methylcyclohexyl)oxyethanamine

C19H31NO — CID 43127981

IUPAC1-(4-tert-butylphenyl)-2-(3-methylcyclohexyl)oxyethanamine
SMILESCC1CCCC(OCC(N)c2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C19H31NO/c1-14-6-5-7-17(12-14)21-13-18(20)15-8-10-16(11-9-15)19(2,3)4/h8-11,14,17-18H,5-7,12-13,20H2,1-4H3
InChIKeyLFTHRLMXAQOLHI-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.58
Rot. Bonds4

About 1-(4-tert-butylphenyl)-2-(3-methylcyclohexyl)oxyethanamine

1-(4-tert-butylphenyl)-2-(3-methylcyclohexyl)oxyethanamine (PubChem CID 43127981) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-2-(3-methylcyclohexyl)oxyethanamine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-2-(3-methylcyclohexyl)oxyethanamine
PubChem CID43127981
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name1-(4-tert-butylphenyl)-2-(3-methylcyclohexyl)oxyethanamine
SMILESCC1CCCC(OCC(N)c2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C19H31NO/c1-14-6-5-7-17(12-14)21-13-18(20)15-8-10-16(11-9-15)19(2,3)4/h8-11,14,17-18H,5-7,12-13,20H2,1-4H3
InChIKeyLFTHRLMXAQOLHI-UHFFFAOYSA-N
XLogP4.58
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 ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-tert-butylphenyl)-2-(cyclopentylmethoxy)ethanamine
CID 66323254
2-cyclopentyloxy-1-(4-methylphenyl)ethanamine
CID 16787694
2-(3,4-dimethylcyclohexyl)oxy-1-(4-methylphenyl)ethanamine
CID 64746525
2-cyclobutyloxy-1-(4-propylphenyl)ethanamine
CID 62139683
1-(2,5-dimethoxyphenyl)-2-(3-methylcyclohexyl)oxyethanamine
CID 43127988
2-(4-methylcyclohexyl)oxy-1-(4-propan-2-ylphenyl)ethanamine
CID 43093849
3-amino-4-(3-methylcyclohexyl)oxybutan-1-ol
CID 64900085
3-(3-methylcyclohexyl)oxy-2-phenylpropane-1-sulfonamide
CID 65014994
1-(4-tert-butylphenyl)-2-(oxolan-2-ylmethoxy)ethanamine
CID 43184181
1-(4-tert-butylphenyl)-3-cyclopentylpropan-1-amine
CID 43110325
1-(4-tert-butylphenyl)-2-(3-methylbutoxy)ethanamine
CID 43093766
1-(4-tert-butylphenyl)-2-cycloheptylethanamine
CID 114457473

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-2-(3-methylcyclohexyl)oxyethanamine?
The IUPAC name of 1-(4-tert-butylphenyl)-2-(3-methylcyclohexyl)oxyethanamine (CID 43127981) is 1-(4-tert-butylphenyl)-2-(3-methylcyclohexyl)oxyethanamine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-2-(3-methylcyclohexyl)oxyethanamine?
The canonical SMILES for 1-(4-tert-butylphenyl)-2-(3-methylcyclohexyl)oxyethanamine is CC1CCCC(OCC(N)c2ccc(C(C)(C)C)cc2)C1.
What is the InChIKey of 1-(4-tert-butylphenyl)-2-(3-methylcyclohexyl)oxyethanamine?
The InChIKey is LFTHRLMXAQOLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-14-6-5-7-17(12-14)21-13-18(20)15-8-10-16(11-9-15)19(2,3)4/h8-11,14,17-18H,5-7,12-13,20H2,1-4H3.
What are the key properties of 1-(4-tert-butylphenyl)-2-(3-methylcyclohexyl)oxyethanamine?
1-(4-tert-butylphenyl)-2-(3-methylcyclohexyl)oxyethanamine has a molecular weight of 289.46 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-2-(3-methylcyclohexyl)oxyethanamine is sourced from PubChem (CID 43127981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).