1-(1-methoxy-4-phenylmethoxycyclohexyl)propan-1-amine

C17H27NO2 — CID 58380816

IUPAC1-(1-methoxy-4-phenylmethoxycyclohexyl)propan-1-amine
SMILESCCC(N)C1(OC)CCC(OCc2ccccc2)CC1
InChIInChI=1S/C17H27NO2/c1-3-16(18)17(19-2)11-9-15(10-12-17)20-13-14-7-5-4-6-8-14/h4-8,15-16H,3,9-13,18H2,1-2H3
InChIKeyZTOGAADAICHYSG-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.27
Rot. Bonds6

About 1-(1-methoxy-4-phenylmethoxycyclohexyl)propan-1-amine

1-(1-methoxy-4-phenylmethoxycyclohexyl)propan-1-amine (PubChem CID 58380816) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-(1-methoxy-4-phenylmethoxycyclohexyl)propan-1-amine.

Molecular Properties

Compound Name1-(1-methoxy-4-phenylmethoxycyclohexyl)propan-1-amine
PubChem CID58380816
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-(1-methoxy-4-phenylmethoxycyclohexyl)propan-1-amine
SMILESCCC(N)C1(OC)CCC(OCc2ccccc2)CC1
InChIInChI=1S/C17H27NO2/c1-3-16(18)17(19-2)11-9-15(10-12-17)20-13-14-7-5-4-6-8-14/h4-8,15-16H,3,9-13,18H2,1-2H3
InChIKeyZTOGAADAICHYSG-UHFFFAOYSA-N
XLogP3.27
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;8-phenylmethoxy-1,4-dioxaspiro[4.5]decane
CID 143382520
1-(aminomethyl)-4-phenylmethoxycyclohexan-1-ol;hydrochloride
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1-methoxy-3-phenylmethoxycyclobutan-1-amine
CID 174783197
azane;cyclopentyloxymethylbenzene
CID 69411306
(4-propylcyclohexyl)oxymethylbenzene
CID 147199890
diethyl 3-phenylmethoxycyclopentane-1,1-dicarboxylate
CID 18970180
4-phenylmethoxyoxane
CID 66554133
[(1R,2R)-2-methoxy-2-methylcyclopentyl]oxymethylbenzene
CID 101022105
(4-phenylcyclohexyl)oxymethylbenzene
CID 11043723
1-oxido-4-phenylmethoxypiperidin-1-ium
CID 6374335
1-cyano-4-phenylmethoxycyclohexane-1-carboxylic acid
CID 174811000
1-(1-methoxy-4-methylcyclohexyl)-2-(3-methoxyphenyl)ethanamine
CID 116766322

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxy-4-phenylmethoxycyclohexyl)propan-1-amine?
The IUPAC name of 1-(1-methoxy-4-phenylmethoxycyclohexyl)propan-1-amine (CID 58380816) is 1-(1-methoxy-4-phenylmethoxycyclohexyl)propan-1-amine.
What is the SMILES notation for 1-(1-methoxy-4-phenylmethoxycyclohexyl)propan-1-amine?
The canonical SMILES for 1-(1-methoxy-4-phenylmethoxycyclohexyl)propan-1-amine is CCC(N)C1(OC)CCC(OCc2ccccc2)CC1.
What is the InChIKey of 1-(1-methoxy-4-phenylmethoxycyclohexyl)propan-1-amine?
The InChIKey is ZTOGAADAICHYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-3-16(18)17(19-2)11-9-15(10-12-17)20-13-14-7-5-4-6-8-14/h4-8,15-16H,3,9-13,18H2,1-2H3.
What are the key properties of 1-(1-methoxy-4-phenylmethoxycyclohexyl)propan-1-amine?
1-(1-methoxy-4-phenylmethoxycyclohexyl)propan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxy-4-phenylmethoxycyclohexyl)propan-1-amine is sourced from PubChem (CID 58380816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).