2-[(3-ethyl-4-methoxyphenyl)methyl]cyclohexan-1-amine

C16H25NO — CID 82383669

IUPAC2-[(3-ethyl-4-methoxyphenyl)methyl]cyclohexan-1-amine
SMILESCCc1cc(CC2CCCCC2N)ccc1OC
InChIInChI=1S/C16H25NO/c1-3-13-10-12(8-9-16(13)18-2)11-14-6-4-5-7-15(14)17/h8-10,14-15H,3-7,11,17H2,1-2H3
InChIKeyRMGFZZYEAZBUCQ-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.32
Rot. Bonds4

About 2-[(3-ethyl-4-methoxyphenyl)methyl]cyclohexan-1-amine

2-[(3-ethyl-4-methoxyphenyl)methyl]cyclohexan-1-amine (PubChem CID 82383669) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-[(3-ethyl-4-methoxyphenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-[(3-ethyl-4-methoxyphenyl)methyl]cyclohexan-1-amine
PubChem CID82383669
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-[(3-ethyl-4-methoxyphenyl)methyl]cyclohexan-1-amine
SMILESCCc1cc(CC2CCCCC2N)ccc1OC
InChIInChI=1S/C16H25NO/c1-3-13-10-12(8-9-16(13)18-2)11-14-6-4-5-7-15(14)17/h8-10,14-15H,3-7,11,17H2,1-2H3
InChIKeyRMGFZZYEAZBUCQ-UHFFFAOYSA-N
XLogP3.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-methoxy-3-propan-2-ylphenyl)methyl]cyclohexan-1-amine
CID 82485335
2-[(3-ethyl-4-methylphenyl)methyl]cyclopentan-1-amine
CID 170100233
2-[(2-methoxy-5-methylphenyl)methyl]cycloheptan-1-amine
CID 55136665
2-N-(3-ethyl-4-methoxyphenyl)-2-N-methylcyclohexane-1,2-diamine
CID 115117888
2-[[3-[(2-methoxyphenoxy)methyl]phenyl]methyl]cyclohexan-1-amine
CID 82185949
1-[2-(3-ethyl-4-methoxyphenyl)ethyl]piperidin-4-amine
CID 95468648
2,5-bis[(3,4-dimethoxyphenyl)methyl]cyclopentan-1-amine;hydrochloride
CID 90679135
2-(4-ethyl-2-methoxyphenoxy)cyclohexan-1-amine
CID 107664389
N-[(3-ethyl-4-methoxyphenyl)methyl]cyclopentanecarboxamide
CID 110781731
N-(2-aminocyclohexyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 61037756
(3-ethyl-4-methoxyphenyl)methanethiol
CID 82125341
cis-(1R,2S)-2-(1,3-benzodioxol-5-ylmethyl)cyclohexan-1-amine
CID 10633393

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-4-methoxyphenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 2-[(3-ethyl-4-methoxyphenyl)methyl]cyclohexan-1-amine (CID 82383669) is 2-[(3-ethyl-4-methoxyphenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-[(3-ethyl-4-methoxyphenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2-[(3-ethyl-4-methoxyphenyl)methyl]cyclohexan-1-amine is CCc1cc(CC2CCCCC2N)ccc1OC.
What is the InChIKey of 2-[(3-ethyl-4-methoxyphenyl)methyl]cyclohexan-1-amine?
The InChIKey is RMGFZZYEAZBUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-13-10-12(8-9-16(13)18-2)11-14-6-4-5-7-15(14)17/h8-10,14-15H,3-7,11,17H2,1-2H3.
What are the key properties of 2-[(3-ethyl-4-methoxyphenyl)methyl]cyclohexan-1-amine?
2-[(3-ethyl-4-methoxyphenyl)methyl]cyclohexan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-4-methoxyphenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 82383669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).