1-amino-3-phenylpentan-3-ol

C11H17NO — CID 79006155

IUPAC1-amino-3-phenylpentan-3-ol
SMILESCCC(O)(CCN)c1ccccc1
InChIInChI=1S/C11H17NO/c1-2-11(13,8-9-12)10-6-4-3-5-7-10/h3-7,13H,2,8-9,12H2,1H3
InChIKeyZRSDCPDCCWHHMQ-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.63
Rot. Bonds4

About 1-amino-3-phenylpentan-3-ol

1-amino-3-phenylpentan-3-ol (PubChem CID 79006155) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-amino-3-phenylpentan-3-ol.

Molecular Properties

Compound Name1-amino-3-phenylpentan-3-ol
PubChem CID79006155
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1-amino-3-phenylpentan-3-ol
SMILESCCC(O)(CCN)c1ccccc1
InChIInChI=1S/C11H17NO/c1-2-11(13,8-9-12)10-6-4-3-5-7-10/h3-7,13H,2,8-9,12H2,1H3
InChIKeyZRSDCPDCCWHHMQ-UHFFFAOYSA-N
XLogP1.63
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(ethylamino)-1-phenylpropan-1-ol
CID 151338197
7,7,7-trifluoro-3-phenylheptan-3-ol
CID 113326695
(2S)-1-bromo-2-phenylbutan-2-ol
CID 101213758
3,3,3-triphenylpropan-1-amine
CID 10125450
6-methylsulfonyl-3-phenylhexan-3-ol
CID 65146576
4-amino-2-phenyl-1-phenylmethoxybutan-2-ol
CID 11514582
4-amino-2-ethyl-2-phenylbutan-1-ol;ethane
CID 143493864
1-amino-5-[tert-butyl(dimethyl)silyl]oxy-3-phenylpentan-3-ol
CID 59835981
(2S)-1-(4-chlorophenyl)-2-phenylbutan-2-ol
CID 93325474
4-hydroxy-1,1,1,4-tetraphenylhexan-2-one
CID 13396368
(3S)-3-phenyl-6-pyridin-2-ylhexan-3-ol
CID 125487866
(2-hydroxy-2-phenylbutyl) sulfamate
CID 88672538

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-phenylpentan-3-ol?
The IUPAC name of 1-amino-3-phenylpentan-3-ol (CID 79006155) is 1-amino-3-phenylpentan-3-ol.
What is the SMILES notation for 1-amino-3-phenylpentan-3-ol?
The canonical SMILES for 1-amino-3-phenylpentan-3-ol is CCC(O)(CCN)c1ccccc1.
What is the InChIKey of 1-amino-3-phenylpentan-3-ol?
The InChIKey is ZRSDCPDCCWHHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-2-11(13,8-9-12)10-6-4-3-5-7-10/h3-7,13H,2,8-9,12H2,1H3.
What are the key properties of 1-amino-3-phenylpentan-3-ol?
1-amino-3-phenylpentan-3-ol has a molecular weight of 179.26 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-phenylpentan-3-ol is sourced from PubChem (CID 79006155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).