1-(2-cyclohexyloxyphenyl)butan-2-amine

C16H25NO — CID 54930577

IUPAC1-(2-cyclohexyloxyphenyl)butan-2-amine
SMILESCCC(N)Cc1ccccc1OC1CCCCC1
InChIInChI=1S/C16H25NO/c1-2-14(17)12-13-8-6-7-11-16(13)18-15-9-4-3-5-10-15/h6-8,11,14-15H,2-5,9-10,12,17H2,1H3
InChIKeyTVJORKIQGRCUNF-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.68
Rot. Bonds5

About 1-(2-cyclohexyloxyphenyl)butan-2-amine

1-(2-cyclohexyloxyphenyl)butan-2-amine (PubChem CID 54930577) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-(2-cyclohexyloxyphenyl)butan-2-amine.

Molecular Properties

Compound Name1-(2-cyclohexyloxyphenyl)butan-2-amine
PubChem CID54930577
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-(2-cyclohexyloxyphenyl)butan-2-amine
SMILESCCC(N)Cc1ccccc1OC1CCCCC1
InChIInChI=1S/C16H25NO/c1-2-14(17)12-13-8-6-7-11-16(13)18-15-9-4-3-5-10-15/h6-8,11,14-15H,2-5,9-10,12,17H2,1H3
InChIKeyTVJORKIQGRCUNF-UHFFFAOYSA-N
XLogP3.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyloxy-2-(2-methylpropyl)benzene
CID 142580992
N-[(2-cyclohexyloxyphenyl)methyl]ethanamine
CID 43277237
N-[(2-cycloheptyloxyphenyl)methyl]propan-2-amine
CID 82927515
1-(2-phenoxyphenyl)butan-2-amine
CID 63803280
1,2-dicyclohexyloxybenzene
CID 67331328
1-[2-(thian-4-yloxy)phenyl]propan-2-amine
CID 115005189
1-cyclohexyloxy-2-prop-2-enylbenzene
CID 14946074
N'-[(2-cyclohexyloxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 177374490
1-(2-cyclopentyloxyphenyl)propan-1-ol
CID 43503588
2-[2-(2-aminobutyl)phenoxy]-N-cyclopropylpropanamide
CID 60907329
(2R)-2-amino-N-[(2-cyclobutyloxyphenyl)methyl]propanamide
CID 119330644
1-[2-(3-ethylcyclohexyl)oxy-3-fluorophenyl]butan-2-amine
CID 115958827

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexyloxyphenyl)butan-2-amine?
The IUPAC name of 1-(2-cyclohexyloxyphenyl)butan-2-amine (CID 54930577) is 1-(2-cyclohexyloxyphenyl)butan-2-amine.
What is the SMILES notation for 1-(2-cyclohexyloxyphenyl)butan-2-amine?
The canonical SMILES for 1-(2-cyclohexyloxyphenyl)butan-2-amine is CCC(N)Cc1ccccc1OC1CCCCC1.
What is the InChIKey of 1-(2-cyclohexyloxyphenyl)butan-2-amine?
The InChIKey is TVJORKIQGRCUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-2-14(17)12-13-8-6-7-11-16(13)18-15-9-4-3-5-10-15/h6-8,11,14-15H,2-5,9-10,12,17H2,1H3.
What are the key properties of 1-(2-cyclohexyloxyphenyl)butan-2-amine?
1-(2-cyclohexyloxyphenyl)butan-2-amine has a molecular weight of 247.38 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexyloxyphenyl)butan-2-amine is sourced from PubChem (CID 54930577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).