2-(cyclohexylmethoxy)-N-ethyl-1-phenylpropan-1-amine

C18H29NO — CID 62383534

IUPAC2-(cyclohexylmethoxy)-N-ethyl-1-phenylpropan-1-amine
SMILESCCNC(c1ccccc1)C(C)OCC1CCCCC1
InChIInChI=1S/C18H29NO/c1-3-19-18(17-12-8-5-9-13-17)15(2)20-14-16-10-6-4-7-11-16/h5,8-9,12-13,15-16,18-19H,3-4,6-7,10-11,14H2,1-2H3
InChIKeyCMGNTTGYYBLVEA-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.32
Rot. Bonds7

About 2-(cyclohexylmethoxy)-N-ethyl-1-phenylpropan-1-amine

2-(cyclohexylmethoxy)-N-ethyl-1-phenylpropan-1-amine (PubChem CID 62383534) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-(cyclohexylmethoxy)-N-ethyl-1-phenylpropan-1-amine.

Molecular Properties

Compound Name2-(cyclohexylmethoxy)-N-ethyl-1-phenylpropan-1-amine
PubChem CID62383534
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-(cyclohexylmethoxy)-N-ethyl-1-phenylpropan-1-amine
SMILESCCNC(c1ccccc1)C(C)OCC1CCCCC1
InChIInChI=1S/C18H29NO/c1-3-19-18(17-12-8-5-9-13-17)15(2)20-14-16-10-6-4-7-11-16/h5,8-9,12-13,15-16,18-19H,3-4,6-7,10-11,14H2,1-2H3
InChIKeyCMGNTTGYYBLVEA-UHFFFAOYSA-N
XLogP4.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclohexylmethoxy)-1-phenylpropan-1-ol
CID 62383236
N-ethyl-1-(4-methylphenyl)-2-(oxan-4-ylmethoxy)propan-1-amine
CID 62383540
1-(cyclopentylmethoxy)ethylbenzene
CID 90167891
N-(cyclohexylmethyl)-2-ethyl-1-phenylbutan-1-amine
CID 43734674
2-(cyclohexylmethoxy)-1-phenylbutan-1-ol
CID 62383401
[1-(cyclohexylmethylperoxy)-2-methylbutyl]benzene
CID 58031035
2-(2-cyclopropylethoxy)-1-phenyl-N-propylpropan-1-amine
CID 106200663
3-cyclopentyl-1-ethoxy-N-ethyl-1-phenylpropan-2-amine
CID 116773746
N-[2-(cyclohexylmethoxy)propyl]aniline
CID 62584399
N'-cyclopentyl-N,N'-diethyl-2-methyl-1-phenylpropane-1,3-diamine
CID 62617718
[cyclohexyl(cyclopropylmethoxy)methyl]benzene
CID 145412407
cyclohexylmethyl (2S)-2-phenylpropanoate
CID 134967383

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethoxy)-N-ethyl-1-phenylpropan-1-amine?
The IUPAC name of 2-(cyclohexylmethoxy)-N-ethyl-1-phenylpropan-1-amine (CID 62383534) is 2-(cyclohexylmethoxy)-N-ethyl-1-phenylpropan-1-amine.
What is the SMILES notation for 2-(cyclohexylmethoxy)-N-ethyl-1-phenylpropan-1-amine?
The canonical SMILES for 2-(cyclohexylmethoxy)-N-ethyl-1-phenylpropan-1-amine is CCNC(c1ccccc1)C(C)OCC1CCCCC1.
What is the InChIKey of 2-(cyclohexylmethoxy)-N-ethyl-1-phenylpropan-1-amine?
The InChIKey is CMGNTTGYYBLVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-3-19-18(17-12-8-5-9-13-17)15(2)20-14-16-10-6-4-7-11-16/h5,8-9,12-13,15-16,18-19H,3-4,6-7,10-11,14H2,1-2H3.
What are the key properties of 2-(cyclohexylmethoxy)-N-ethyl-1-phenylpropan-1-amine?
2-(cyclohexylmethoxy)-N-ethyl-1-phenylpropan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethoxy)-N-ethyl-1-phenylpropan-1-amine is sourced from PubChem (CID 62383534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).