1-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]cyclohexan-1-amine

C17H27NO — CID 117114607

IUPAC1-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]cyclohexan-1-amine
SMILESCOCC(C)(C)c1ccccc1C1(N)CCCCC1
InChIInChI=1S/C17H27NO/c1-16(2,13-19-3)14-9-5-6-10-15(14)17(18)11-7-4-8-12-17/h5-6,9-10H,4,7-8,11-13,18H2,1-3H3
InChIKeyRQNXSSSQBWLAKO-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.73
Rot. Bonds4

About 1-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]cyclohexan-1-amine

1-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]cyclohexan-1-amine (PubChem CID 117114607) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]cyclohexan-1-amine
PubChem CID117114607
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]cyclohexan-1-amine
SMILESCOCC(C)(C)c1ccccc1C1(N)CCCCC1
InChIInChI=1S/C17H27NO/c1-16(2,13-19-3)14-9-5-6-10-15(14)17(18)11-7-4-8-12-17/h5-6,9-10H,4,7-8,11-13,18H2,1-3H3
InChIKeyRQNXSSSQBWLAKO-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]cyclopentan-1-amine
CID 117112781
1-(2-tert-butylphenyl)cyclohexan-1-amine
CID 84794895
1-[2-(fluoromethyl)-3-methoxyphenyl]cyclohexan-1-amine
CID 117347338
2-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]ethanamine
CID 117110840
1-[2-(2-methoxypropyl)phenyl]cyclopentan-1-amine
CID 117112740
1-(2-bromophenyl)cycloheptan-1-amine
CID 62830904
1-[3-[(dimethylamino)methyl]-2-methoxyphenyl]cyclohexan-1-amine
CID 117411111
1-[2-(1-methoxycyclopropyl)phenyl]cyclobutan-1-amine
CID 117112884
2-[2-[1-(methoxymethyl)cyclopropyl]phenyl]-2-methylpropan-1-ol
CID 117113680
1-(3-tert-butyl-2,5-dimethoxyphenyl)cyclohexan-1-amine
CID 117470953
2-(1-methoxy-2-methylpropan-2-yl)benzonitrile
CID 115110865
[1-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]cyclohexyl]methanamine
CID 117113421

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]cyclohexan-1-amine?
The IUPAC name of 1-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]cyclohexan-1-amine (CID 117114607) is 1-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]cyclohexan-1-amine?
The canonical SMILES for 1-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]cyclohexan-1-amine is COCC(C)(C)c1ccccc1C1(N)CCCCC1.
What is the InChIKey of 1-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]cyclohexan-1-amine?
The InChIKey is RQNXSSSQBWLAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-16(2,13-19-3)14-9-5-6-10-15(14)17(18)11-7-4-8-12-17/h5-6,9-10H,4,7-8,11-13,18H2,1-3H3.
What are the key properties of 1-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]cyclohexan-1-amine?
1-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]cyclohexan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]cyclohexan-1-amine is sourced from PubChem (CID 117114607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).