2-amino-1-phenylethanol;ethane

C10H17NO — CID 91425169

IUPAC2-amino-1-phenylethanol;ethane
SMILESCC.NCC(O)c1ccccc1
InChIInChI=1S/C8H11NO.C2H6/c9-6-8(10)7-4-2-1-3-5-7;1-2/h1-5,8,10H,6,9H2;1-2H3
InChIKeyTZVDPDDBUMNCQV-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.70
Rot. Bonds2

About 2-amino-1-phenylethanol;ethane

2-amino-1-phenylethanol;ethane (PubChem CID 91425169) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2-amino-1-phenylethanol;ethane.

Molecular Properties

Compound Name2-amino-1-phenylethanol;ethane
PubChem CID91425169
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2-amino-1-phenylethanol;ethane
SMILESCC.NCC(O)c1ccccc1
InChIInChI=1S/C8H11NO.C2H6/c9-6-8(10)7-4-2-1-3-5-7;1-2/h1-5,8,10H,6,9H2;1-2H3
InChIKeyTZVDPDDBUMNCQV-UHFFFAOYSA-N
XLogP1.70
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(4-methylphenyl)ethanol;ethane
CID 145260878
(1S)-2-amino-1-(4-phenoxyphenyl)ethanol
CID 39247565
2-amino-1-[4-(1-hydroxyethyl)phenyl]ethanol
CID 117278888
3-amino-1-phenylpropan-1-ol;hydrochloride
CID 13013905
(1S)-3-amino-1-phenylpropan-1-ol;hydrochloride
CID 71743708
1-phenylpropan-1-ol;hydrate
CID 156782934
(2S)-2-bromo-2-deuterio-1-phenylethanol
CID 71507175
(1S)-2-amino-1-(4-ethylphenyl)ethanol
CID 42182576
(4S)-4-hydroxy-4-phenylbutan-2-one
CID 10888260
bis(1,3-diphenylpropane-1,3-diol);nickel
CID 5232029
(1S,2R)-2-deuterio-1-phenylpropan-1-ol
CID 175690859
ethyl (3S)-3-hydroxy-3-phenylpropanoate
CID 853697

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-phenylethanol;ethane?
The IUPAC name of 2-amino-1-phenylethanol;ethane (CID 91425169) is 2-amino-1-phenylethanol;ethane.
What is the SMILES notation for 2-amino-1-phenylethanol;ethane?
The canonical SMILES for 2-amino-1-phenylethanol;ethane is CC.NCC(O)c1ccccc1.
What is the InChIKey of 2-amino-1-phenylethanol;ethane?
The InChIKey is TZVDPDDBUMNCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO.C2H6/c9-6-8(10)7-4-2-1-3-5-7;1-2/h1-5,8,10H,6,9H2;1-2H3.
What are the key properties of 2-amino-1-phenylethanol;ethane?
2-amino-1-phenylethanol;ethane has a molecular weight of 167.25 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-phenylethanol;ethane is sourced from PubChem (CID 91425169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).