4-ethyl-2-[(2-methoxy-5-methylphenyl)methyl]cyclohexan-1-amine

C17H27NO — CID 55041701

IUPAC4-ethyl-2-[(2-methoxy-5-methylphenyl)methyl]cyclohexan-1-amine
SMILESCCC1CCC(N)C(Cc2cc(C)ccc2OC)C1
InChIInChI=1S/C17H27NO/c1-4-13-6-7-16(18)14(10-13)11-15-9-12(2)5-8-17(15)19-3/h5,8-9,13-14,16H,4,6-7,10-11,18H2,1-3H3
InChIKeyQKNVIVVYBDALLP-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.70
Rot. Bonds4

About 4-ethyl-2-[(2-methoxy-5-methylphenyl)methyl]cyclohexan-1-amine

4-ethyl-2-[(2-methoxy-5-methylphenyl)methyl]cyclohexan-1-amine (PubChem CID 55041701) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 4-ethyl-2-[(2-methoxy-5-methylphenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-2-[(2-methoxy-5-methylphenyl)methyl]cyclohexan-1-amine
PubChem CID55041701
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name4-ethyl-2-[(2-methoxy-5-methylphenyl)methyl]cyclohexan-1-amine
SMILESCCC1CCC(N)C(Cc2cc(C)ccc2OC)C1
InChIInChI=1S/C17H27NO/c1-4-13-6-7-16(18)14(10-13)11-15-9-12(2)5-8-17(15)19-3/h5,8-9,13-14,16H,4,6-7,10-11,18H2,1-3H3
InChIKeyQKNVIVVYBDALLP-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-2-[(2-methoxy-5-methylphenyl)methyl]cyclohexan-1-ol
CID 62161726
2-[(2,5-dimethylphenyl)methyl]-4-ethylcyclohexan-1-amine
CID 55185587
2-[(2-methoxy-5-methylphenyl)methyl]cycloheptan-1-amine
CID 55136665
4-[(2-methoxy-5-methylphenyl)methyl]thiolan-3-amine
CID 83196810
N-ethyl-3-[(2-methoxy-5-methylphenyl)methyl]cyclopentan-1-amine
CID 64505934
2-[(5-bromo-2-methoxyphenyl)methyl]cyclobutan-1-amine
CID 81014703
N-[[2-[(2-methoxy-5-methylphenyl)methyl]cyclopentyl]methyl]ethanamine
CID 81033186
4-ethyl-2-(2-fluoro-5-methylphenoxy)cyclohexan-1-amine
CID 64856159
2-[(2-chlorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 55185968
1-[(2-bromo-5-ethylcyclohexyl)methyl]-2-methoxybenzene
CID 63473365
1-(3-ethylcyclohexyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 65401725
N-[[2-[(2-methoxy-5-methylphenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine
CID 81021831

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[(2-methoxy-5-methylphenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 4-ethyl-2-[(2-methoxy-5-methylphenyl)methyl]cyclohexan-1-amine (CID 55041701) is 4-ethyl-2-[(2-methoxy-5-methylphenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-2-[(2-methoxy-5-methylphenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-ethyl-2-[(2-methoxy-5-methylphenyl)methyl]cyclohexan-1-amine is CCC1CCC(N)C(Cc2cc(C)ccc2OC)C1.
What is the InChIKey of 4-ethyl-2-[(2-methoxy-5-methylphenyl)methyl]cyclohexan-1-amine?
The InChIKey is QKNVIVVYBDALLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-13-6-7-16(18)14(10-13)11-15-9-12(2)5-8-17(15)19-3/h5,8-9,13-14,16H,4,6-7,10-11,18H2,1-3H3.
What are the key properties of 4-ethyl-2-[(2-methoxy-5-methylphenyl)methyl]cyclohexan-1-amine?
4-ethyl-2-[(2-methoxy-5-methylphenyl)methyl]cyclohexan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[(2-methoxy-5-methylphenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 55041701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).