[4-(cyclohexylmethoxy)-3-ethoxyphenyl]methanamine

C16H25NO2 — CID 43122482

IUPAC[4-(cyclohexylmethoxy)-3-ethoxyphenyl]methanamine
SMILESCCOc1cc(CN)ccc1OCC1CCCCC1
InChIInChI=1S/C16H25NO2/c1-2-18-16-10-14(11-17)8-9-15(16)19-12-13-6-4-3-5-7-13/h8-10,13H,2-7,11-12,17H2,1H3
InChIKeyWEYKTTYPOLZBBM-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.50
Rot. Bonds6

About [4-(cyclohexylmethoxy)-3-ethoxyphenyl]methanamine

[4-(cyclohexylmethoxy)-3-ethoxyphenyl]methanamine (PubChem CID 43122482) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is [4-(cyclohexylmethoxy)-3-ethoxyphenyl]methanamine.

Molecular Properties

Compound Name[4-(cyclohexylmethoxy)-3-ethoxyphenyl]methanamine
PubChem CID43122482
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name[4-(cyclohexylmethoxy)-3-ethoxyphenyl]methanamine
SMILESCCOc1cc(CN)ccc1OCC1CCCCC1
InChIInChI=1S/C16H25NO2/c1-2-18-16-10-14(11-17)8-9-15(16)19-12-13-6-4-3-5-7-13/h8-10,13H,2-7,11-12,17H2,1H3
InChIKeyWEYKTTYPOLZBBM-UHFFFAOYSA-N
XLogP3.50
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(cyclohexylmethoxy)-4-methoxyphenyl]methanamine
CID 43122515
1-[4-(cyclopentylmethoxy)-3-ethoxyphenyl]propan-2-amine
CID 61342843
[3-bromo-4-(cyclohexylmethoxy)phenyl]methanamine
CID 63046526
4-(2-cyclohexylethyl)-1,2-diethoxybenzene
CID 91085338
[3-bromo-4-(cyclobutylmethoxy)phenyl]methanamine
CID 65457318
[3-(cyclopropylmethoxy)-4-methylphenyl]methanamine
CID 107655653
N-[[4-(cyclobutylmethoxy)-3-ethoxyphenyl]methyl]propan-1-amine
CID 65457532
[4-(cyclopropylmethoxy)-3-iodophenyl]methanamine
CID 169488705
4-(bromomethyl)-1-(cyclopentylmethoxy)-2-methoxybenzene
CID 61343201
[4-(2-butoxyethoxy)-3-ethoxyphenyl]methanamine
CID 61483340
[3-ethoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]methanamine
CID 61493596
2-[4-(aminomethyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone
CID 28967218

Frequently Asked Questions

What is the IUPAC name of [4-(cyclohexylmethoxy)-3-ethoxyphenyl]methanamine?
The IUPAC name of [4-(cyclohexylmethoxy)-3-ethoxyphenyl]methanamine (CID 43122482) is [4-(cyclohexylmethoxy)-3-ethoxyphenyl]methanamine.
What is the SMILES notation for [4-(cyclohexylmethoxy)-3-ethoxyphenyl]methanamine?
The canonical SMILES for [4-(cyclohexylmethoxy)-3-ethoxyphenyl]methanamine is CCOc1cc(CN)ccc1OCC1CCCCC1.
What is the InChIKey of [4-(cyclohexylmethoxy)-3-ethoxyphenyl]methanamine?
The InChIKey is WEYKTTYPOLZBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-2-18-16-10-14(11-17)8-9-15(16)19-12-13-6-4-3-5-7-13/h8-10,13H,2-7,11-12,17H2,1H3.
What are the key properties of [4-(cyclohexylmethoxy)-3-ethoxyphenyl]methanamine?
[4-(cyclohexylmethoxy)-3-ethoxyphenyl]methanamine has a molecular weight of 263.38 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclohexylmethoxy)-3-ethoxyphenyl]methanamine is sourced from PubChem (CID 43122482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).