1-[2-(4,4-dimethylcyclohexyl)oxyphenyl]propan-1-amine

C17H27NO — CID 114341276

IUPAC1-[2-(4,4-dimethylcyclohexyl)oxyphenyl]propan-1-amine
SMILESCCC(N)c1ccccc1OC1CCC(C)(C)CC1
InChIInChI=1S/C17H27NO/c1-4-15(18)14-7-5-6-8-16(14)19-13-9-11-17(2,3)12-10-13/h5-8,13,15H,4,9-12,18H2,1-3H3
InChIKeyCLVQRNJBOZPMPN-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.44
Rot. Bonds4

About 1-[2-(4,4-dimethylcyclohexyl)oxyphenyl]propan-1-amine

1-[2-(4,4-dimethylcyclohexyl)oxyphenyl]propan-1-amine (PubChem CID 114341276) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-[2-(4,4-dimethylcyclohexyl)oxyphenyl]propan-1-amine.

Molecular Properties

Compound Name1-[2-(4,4-dimethylcyclohexyl)oxyphenyl]propan-1-amine
PubChem CID114341276
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-[2-(4,4-dimethylcyclohexyl)oxyphenyl]propan-1-amine
SMILESCCC(N)c1ccccc1OC1CCC(C)(C)CC1
InChIInChI=1S/C17H27NO/c1-4-15(18)14-7-5-6-8-16(14)19-13-9-11-17(2,3)12-10-13/h5-8,13,15H,4,9-12,18H2,1-3H3
InChIKeyCLVQRNJBOZPMPN-UHFFFAOYSA-N
XLogP4.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[2-(3,5-dimethylcyclohexyl)oxyphenyl]propan-1-amine
CID 78999241
1-[2-(4,4-dimethylcyclohexyl)oxyphenyl]-N-ethylethanamine
CID 114341296
1-[2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]propan-1-amine
CID 79899561
1-[2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]propan-1-amine
CID 114621071
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
(1R)-1-(2-methoxyphenyl)propan-1-amine;hydrochloride
CID 53484779
(1R)-1-[2-(4-ethylcyclohexyl)oxyphenyl]ethanamine
CID 78999303
1-(2-cyclopentyloxyphenyl)propan-1-ol
CID 43503588
2-(cyclopropylmethoxy)-1-(2-ethoxyphenyl)ethanamine
CID 43211702
(1S)-1-[2-(oxan-4-ylmethoxy)phenyl]propan-1-amine
CID 78932889
(1R)-1-(2-decoxyphenyl)propan-1-amine
CID 63485887
1-(2-decoxyphenyl)propan-1-amine
CID 63501298

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,4-dimethylcyclohexyl)oxyphenyl]propan-1-amine?
The IUPAC name of 1-[2-(4,4-dimethylcyclohexyl)oxyphenyl]propan-1-amine (CID 114341276) is 1-[2-(4,4-dimethylcyclohexyl)oxyphenyl]propan-1-amine.
What is the SMILES notation for 1-[2-(4,4-dimethylcyclohexyl)oxyphenyl]propan-1-amine?
The canonical SMILES for 1-[2-(4,4-dimethylcyclohexyl)oxyphenyl]propan-1-amine is CCC(N)c1ccccc1OC1CCC(C)(C)CC1.
What is the InChIKey of 1-[2-(4,4-dimethylcyclohexyl)oxyphenyl]propan-1-amine?
The InChIKey is CLVQRNJBOZPMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-15(18)14-7-5-6-8-16(14)19-13-9-11-17(2,3)12-10-13/h5-8,13,15H,4,9-12,18H2,1-3H3.
What are the key properties of 1-[2-(4,4-dimethylcyclohexyl)oxyphenyl]propan-1-amine?
1-[2-(4,4-dimethylcyclohexyl)oxyphenyl]propan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,4-dimethylcyclohexyl)oxyphenyl]propan-1-amine is sourced from PubChem (CID 114341276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).