[2-(1-phenylpropylamino)cyclohexyl]methanol

C16H25NO — CID 113261894

IUPAC[2-(1-phenylpropylamino)cyclohexyl]methanol
SMILESCCC(NC1CCCCC1CO)c1ccccc1
InChIInChI=1S/C16H25NO/c1-2-15(13-8-4-3-5-9-13)17-16-11-7-6-10-14(16)12-18/h3-5,8-9,14-18H,2,6-7,10-12H2,1H3
InChIKeyMGTUSYCNYLOZQF-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.28
Rot. Bonds5

About [2-(1-phenylpropylamino)cyclohexyl]methanol

[2-(1-phenylpropylamino)cyclohexyl]methanol (PubChem CID 113261894) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is [2-(1-phenylpropylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[2-(1-phenylpropylamino)cyclohexyl]methanol
PubChem CID113261894
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name[2-(1-phenylpropylamino)cyclohexyl]methanol
SMILESCCC(NC1CCCCC1CO)c1ccccc1
InChIInChI=1S/C16H25NO/c1-2-15(13-8-4-3-5-9-13)17-16-11-7-6-10-14(16)12-18/h3-5,8-9,14-18H,2,6-7,10-12H2,1H3
InChIKeyMGTUSYCNYLOZQF-UHFFFAOYSA-N
XLogP3.28
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[1-(3-fluorophenyl)propylamino]cyclohexyl]methanol
CID 102612788
[2-[1-(3-bromophenyl)propylamino]cyclopentyl]methanol
CID 113262133
[2-[[cyclopropyl(phenyl)methyl]amino]cyclohexyl]methanol
CID 106359819
2-[[2-(hydroxymethyl)cyclohexyl]amino]-2-phenylacetic acid
CID 114178847
[2-[(1-amino-3-phenylbutan-2-yl)amino]cyclopentyl]methanol
CID 106359972
2-methylsulfonyl-N-(1-phenylpropyl)cyclopentan-1-amine
CID 65046271
2-methyl-N-(1-phenylpropyl)thian-3-amine
CID 79957680
[2-[1-(4-fluorophenyl)pentylamino]cyclopentyl]methanol
CID 103786106
[2-[1-(4-fluorophenyl)pentylamino]cyclohexyl]methanol
CID 106359644
2-[(2-hydroxy-1-phenylethyl)amino]cyclohexan-1-ol
CID 63183129
2-[1-[[2-(hydroxymethyl)cyclohexyl]amino]ethyl]phenol
CID 113383805
[2-(2-methylpentan-3-ylamino)cyclopentyl]methanol
CID 115723783

Frequently Asked Questions

What is the IUPAC name of [2-(1-phenylpropylamino)cyclohexyl]methanol?
The IUPAC name of [2-(1-phenylpropylamino)cyclohexyl]methanol (CID 113261894) is [2-(1-phenylpropylamino)cyclohexyl]methanol.
What is the SMILES notation for [2-(1-phenylpropylamino)cyclohexyl]methanol?
The canonical SMILES for [2-(1-phenylpropylamino)cyclohexyl]methanol is CCC(NC1CCCCC1CO)c1ccccc1.
What is the InChIKey of [2-(1-phenylpropylamino)cyclohexyl]methanol?
The InChIKey is MGTUSYCNYLOZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-2-15(13-8-4-3-5-9-13)17-16-11-7-6-10-14(16)12-18/h3-5,8-9,14-18H,2,6-7,10-12H2,1H3.
What are the key properties of [2-(1-phenylpropylamino)cyclohexyl]methanol?
[2-(1-phenylpropylamino)cyclohexyl]methanol has a molecular weight of 247.38 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-phenylpropylamino)cyclohexyl]methanol is sourced from PubChem (CID 113261894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).