[2-[(2-phenylprop-2-enylamino)methyl]cyclohexyl]methanol

C17H25NO — CID 115328362

IUPAC[2-[(2-phenylprop-2-enylamino)methyl]cyclohexyl]methanol
SMILESC=C(CNCC1CCCCC1CO)c1ccccc1
InChIInChI=1S/C17H25NO/c1-14(15-7-3-2-4-8-15)11-18-12-16-9-5-6-10-17(16)13-19/h2-4,7-8,16-19H,1,5-6,9-13H2
InChIKeyOESVKFPOEQJFQS-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.09
Rot. Bonds6

About [2-[(2-phenylprop-2-enylamino)methyl]cyclohexyl]methanol

[2-[(2-phenylprop-2-enylamino)methyl]cyclohexyl]methanol (PubChem CID 115328362) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is [2-[(2-phenylprop-2-enylamino)methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[(2-phenylprop-2-enylamino)methyl]cyclohexyl]methanol
PubChem CID115328362
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name[2-[(2-phenylprop-2-enylamino)methyl]cyclohexyl]methanol
SMILESC=C(CNCC1CCCCC1CO)c1ccccc1
InChIInChI=1S/C17H25NO/c1-14(15-7-3-2-4-8-15)11-18-12-16-9-5-6-10-17(16)13-19/h2-4,7-8,16-19H,1,5-6,9-13H2
InChIKeyOESVKFPOEQJFQS-UHFFFAOYSA-N
XLogP3.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-phenylprop-2-enylamino)methyl]cyclopentan-1-ol
CID 115328361
N-(cyclopropylmethyl)-2-phenylprop-2-en-1-amine
CID 78921499
[2-[(2-methylidenebutylamino)methyl]cyclopentyl]methanol
CID 66046903
N-(1-cyclohexylethyl)-2-phenylprop-2-en-1-amine
CID 113288150
N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 85447885
1-[2-[[2-(hydroxymethyl)cyclohexyl]methylamino]ethyl]pyridin-2-one
CID 82897390
3-[[2-(hydroxymethyl)cyclopentyl]methylamino]benzoic acid
CID 102823120
N-[2-(hydroxymethyl)cyclohexyl]-2-methyl-2-phenylpropanamide
CID 106364533
ethene;[2-(hydroxymethyl)cyclopentyl]methanol;styrene
CID 162435875
[2-[(2,3-dihydro-1-benzofuran-3-ylmethylamino)methyl]cyclopentyl]methanol
CID 79227078
[2-[(2,2-difluoro-2-phenylethyl)amino]cyclohexyl]methanol
CID 106361158
[2-[[(2-methoxynaphthalen-1-yl)methylamino]methyl]cyclohexyl]methanol
CID 83944723

Frequently Asked Questions

What is the IUPAC name of [2-[(2-phenylprop-2-enylamino)methyl]cyclohexyl]methanol?
The IUPAC name of [2-[(2-phenylprop-2-enylamino)methyl]cyclohexyl]methanol (CID 115328362) is [2-[(2-phenylprop-2-enylamino)methyl]cyclohexyl]methanol.
What is the SMILES notation for [2-[(2-phenylprop-2-enylamino)methyl]cyclohexyl]methanol?
The canonical SMILES for [2-[(2-phenylprop-2-enylamino)methyl]cyclohexyl]methanol is C=C(CNCC1CCCCC1CO)c1ccccc1.
What is the InChIKey of [2-[(2-phenylprop-2-enylamino)methyl]cyclohexyl]methanol?
The InChIKey is OESVKFPOEQJFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-14(15-7-3-2-4-8-15)11-18-12-16-9-5-6-10-17(16)13-19/h2-4,7-8,16-19H,1,5-6,9-13H2.
What are the key properties of [2-[(2-phenylprop-2-enylamino)methyl]cyclohexyl]methanol?
[2-[(2-phenylprop-2-enylamino)methyl]cyclohexyl]methanol has a molecular weight of 259.39 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-phenylprop-2-enylamino)methyl]cyclohexyl]methanol is sourced from PubChem (CID 115328362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).