2-(heptan-4-ylamino)-2-phenylethanol

C15H25NO — CID 55160187

IUPAC2-(heptan-4-ylamino)-2-phenylethanol
SMILESCCCC(CCC)NC(CO)c1ccccc1
InChIInChI=1S/C15H25NO/c1-3-8-14(9-4-2)16-15(12-17)13-10-6-5-7-11-13/h5-7,10-11,14-17H,3-4,8-9,12H2,1-2H3
InChIKeyKUQBJUZGUNRFRG-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.28
Rot. Bonds8

About 2-(heptan-4-ylamino)-2-phenylethanol

2-(heptan-4-ylamino)-2-phenylethanol (PubChem CID 55160187) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-(heptan-4-ylamino)-2-phenylethanol.

Molecular Properties

Compound Name2-(heptan-4-ylamino)-2-phenylethanol
PubChem CID55160187
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-(heptan-4-ylamino)-2-phenylethanol
SMILESCCCC(CCC)NC(CO)c1ccccc1
InChIInChI=1S/C15H25NO/c1-3-8-14(9-4-2)16-15(12-17)13-10-6-5-7-11-13/h5-7,10-11,14-17H,3-4,8-9,12H2,1-2H3
InChIKeyKUQBJUZGUNRFRG-UHFFFAOYSA-N
XLogP3.28
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-phenyl-2-(1-phenylbutylamino)ethanol
CID 103783978
ethyl (3S)-3-[[(1R)-2-hydroxy-1-phenylethyl]amino]hexanoate
CID 102303295
(2S)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]butane-1,4-diol
CID 15449405
(2R)-2-phenyl-2-(1-phenylbutan-2-ylamino)ethanol
CID 103788766
(2R)-2-[[(1S)-1-phenylpropyl]amino]butan-1-ol
CID 28723478
(2S)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]pentane-1,5-diol
CID 15449406
(2R)-2-(heptan-2-ylamino)-2-phenylethanol
CID 103788664
(2S)-2-phenyl-2-[[(4R)-tridec-1-en-4-yl]amino]ethanol
CID 101125400
N-(1-phenylpropyl)undecan-6-amine
CID 63477274
(2S)-2-[(2-methyl-1-phenylpropyl)amino]-2-phenylethanol
CID 107862261
N'-hydroxy-3-(octan-4-ylamino)-3-phenylpropanimidamide
CID 106019347
(2S)-2-[1-(4-bromophenyl)propylamino]-2-phenylethanol
CID 103784133

Frequently Asked Questions

What is the IUPAC name of 2-(heptan-4-ylamino)-2-phenylethanol?
The IUPAC name of 2-(heptan-4-ylamino)-2-phenylethanol (CID 55160187) is 2-(heptan-4-ylamino)-2-phenylethanol.
What is the SMILES notation for 2-(heptan-4-ylamino)-2-phenylethanol?
The canonical SMILES for 2-(heptan-4-ylamino)-2-phenylethanol is CCCC(CCC)NC(CO)c1ccccc1.
What is the InChIKey of 2-(heptan-4-ylamino)-2-phenylethanol?
The InChIKey is KUQBJUZGUNRFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-3-8-14(9-4-2)16-15(12-17)13-10-6-5-7-11-13/h5-7,10-11,14-17H,3-4,8-9,12H2,1-2H3.
What are the key properties of 2-(heptan-4-ylamino)-2-phenylethanol?
2-(heptan-4-ylamino)-2-phenylethanol has a molecular weight of 235.37 g/mol, XLogP of 3.28, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(heptan-4-ylamino)-2-phenylethanol is sourced from PubChem (CID 55160187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).