N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-ethylcyclohexan-1-amine

C18H29NO2 — CID 64741035

IUPACN-[(4-ethoxy-3-methoxyphenyl)methyl]-3-ethylcyclohexan-1-amine
SMILESCCOc1ccc(CNC2CCCC(CC)C2)cc1OC
InChIInChI=1S/C18H29NO2/c1-4-14-7-6-8-16(11-14)19-13-15-9-10-17(21-5-2)18(12-15)20-3/h9-10,12,14,16,19H,4-8,11,13H2,1-3H3
InChIKeyVUGSHLTYTWCNOK-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.15
Rot. Bonds7

About N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-ethylcyclohexan-1-amine

N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-ethylcyclohexan-1-amine (PubChem CID 64741035) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-ethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-3-ethylcyclohexan-1-amine
PubChem CID64741035
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-3-ethylcyclohexan-1-amine
SMILESCCOc1ccc(CNC2CCCC(CC)C2)cc1OC
InChIInChI=1S/C18H29NO2/c1-4-14-7-6-8-16(11-14)19-13-15-9-10-17(21-5-2)18(12-15)20-3/h9-10,12,14,16,19H,4-8,11,13H2,1-3H3
InChIKeyVUGSHLTYTWCNOK-UHFFFAOYSA-N
XLogP4.15
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine
CID 64741608
N-[(3-bromo-4-methoxyphenyl)methyl]-3-ethylcyclohexan-1-amine
CID 64743158
1-N-[(3,4-dimethoxyphenyl)methyl]cyclohexane-1,3-diamine
CID 79458725
4-N-[(4-ethoxy-3-methoxyphenyl)methyl]cyclohexane-1,4-diamine
CID 62314200
N-[[4-(cyclopentylmethoxy)-3-methoxyphenyl]methyl]cyclopropanamine
CID 61344979
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-methylpiperidin-4-amine
CID 43215907
N-[(4-butoxy-3-methoxyphenyl)methyl]-3-methylcyclohexan-1-amine
CID 54848890
4-[(4-ethoxy-3-methoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 120509717
N-[(4-cyclopropylphenyl)methyl]-3-ethylcyclohexan-1-amine
CID 79983701
N-[(3-ethoxy-4-methoxyphenyl)methyl]thian-3-amine
CID 115676100
N-[(3-ethoxy-4-methoxyphenyl)methyl]-4-(methylsulfonylmethyl)cyclohexan-1-amine
CID 136544926
methyl 4-[[(3-ethylcyclohexyl)amino]methyl]-2-fluorobenzoate
CID 106700127

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-ethylcyclohexan-1-amine?
The IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-ethylcyclohexan-1-amine (CID 64741035) is N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-ethylcyclohexan-1-amine.
What is the SMILES notation for N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-ethylcyclohexan-1-amine?
The canonical SMILES for N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-ethylcyclohexan-1-amine is CCOc1ccc(CNC2CCCC(CC)C2)cc1OC.
What is the InChIKey of N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-ethylcyclohexan-1-amine?
The InChIKey is VUGSHLTYTWCNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-4-14-7-6-8-16(11-14)19-13-15-9-10-17(21-5-2)18(12-15)20-3/h9-10,12,14,16,19H,4-8,11,13H2,1-3H3.
What are the key properties of N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-ethylcyclohexan-1-amine?
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-ethylcyclohexan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-ethylcyclohexan-1-amine is sourced from PubChem (CID 64741035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).