1-(3,4-dimethylcyclohexyl)oxy-1-(3-methylphenyl)butan-2-amine

C19H31NO — CID 64745897

IUPAC1-(3,4-dimethylcyclohexyl)oxy-1-(3-methylphenyl)butan-2-amine
SMILESCCC(N)C(OC1CCC(C)C(C)C1)c1cccc(C)c1
InChIInChI=1S/C19H31NO/c1-5-18(20)19(16-8-6-7-13(2)11-16)21-17-10-9-14(3)15(4)12-17/h6-8,11,14-15,17-19H,5,9-10,12,20H2,1-4H3
InChIKeyKBCQNKABVKIVSM-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.61
Rot. Bonds5

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

1-(3,4-dimethylcyclohexyl)oxy-1-(3-methylphenyl)butan-2-amine (PubChem CID 64745897) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 1-(3,4-dimethylcyclohexyl)oxy-1-(3-methylphenyl)butan-2-amine.

Molecular Properties

Compound Name1-(3,4-dimethylcyclohexyl)oxy-1-(3-methylphenyl)butan-2-amine
PubChem CID64745897
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name1-(3,4-dimethylcyclohexyl)oxy-1-(3-methylphenyl)butan-2-amine
SMILESCCC(N)C(OC1CCC(C)C(C)C1)c1cccc(C)c1
InChIInChI=1S/C19H31NO/c1-5-18(20)19(16-8-6-7-13(2)11-16)21-17-10-9-14(3)15(4)12-17/h6-8,11,14-15,17-19H,5,9-10,12,20H2,1-4H3
InChIKeyKBCQNKABVKIVSM-UHFFFAOYSA-N
XLogP4.61
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylcyclohexyl)oxy-1-(3-fluorophenyl)butan-2-amine
CID 64744328
2-(3,4-dimethylcyclohexyl)oxy-N-methyl-2-(3-methylphenyl)ethanamine
CID 64745158
1-cyclopentyloxy-1-(3-methylphenyl)propan-2-amine
CID 55020466
1-(3-methylphenyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-2-amine
CID 115941853
1-(2-chloro-5-methylphenoxy)-1-(3-methylphenyl)butan-2-amine
CID 63460298
(3,4-dimethylcyclohexyl)-(3-methylphenyl)methanol
CID 64739613
1-(3,4-dichlorophenoxy)-1-(3-methylphenyl)butan-2-amine
CID 63460308
2-(3-methylcyclohexyl)oxy-2-(3-methylphenyl)ethanamine
CID 55020520
1-N-methyl-1-N-(4-methylcyclohexyl)-1-(3-methylphenyl)butane-1,2-diamine
CID 63406157
1-[(2-bromophenyl)methoxy]-1-(3-methylphenyl)butan-2-amine
CID 82804123
1-(4-bromo-2-methylphenoxy)-1-(3-methylphenyl)butan-2-amine
CID 63459593
1-(5-fluoro-2-methylphenoxy)-1-(3-methylphenyl)butan-2-amine
CID 102980547

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylcyclohexyl)oxy-1-(3-methylphenyl)butan-2-amine?
The IUPAC name of 1-(3,4-dimethylcyclohexyl)oxy-1-(3-methylphenyl)butan-2-amine (CID 64745897) is 1-(3,4-dimethylcyclohexyl)oxy-1-(3-methylphenyl)butan-2-amine.
What is the SMILES notation for 1-(3,4-dimethylcyclohexyl)oxy-1-(3-methylphenyl)butan-2-amine?
The canonical SMILES for 1-(3,4-dimethylcyclohexyl)oxy-1-(3-methylphenyl)butan-2-amine is CCC(N)C(OC1CCC(C)C(C)C1)c1cccc(C)c1.
What is the InChIKey of 1-(3,4-dimethylcyclohexyl)oxy-1-(3-methylphenyl)butan-2-amine?
The InChIKey is KBCQNKABVKIVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-5-18(20)19(16-8-6-7-13(2)11-16)21-17-10-9-14(3)15(4)12-17/h6-8,11,14-15,17-19H,5,9-10,12,20H2,1-4H3.
What are the key properties of 1-(3,4-dimethylcyclohexyl)oxy-1-(3-methylphenyl)butan-2-amine?
1-(3,4-dimethylcyclohexyl)oxy-1-(3-methylphenyl)butan-2-amine has a molecular weight of 289.46 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylcyclohexyl)oxy-1-(3-methylphenyl)butan-2-amine is sourced from PubChem (CID 64745897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).