2-amino-1-(4-methylphenyl)ethanol;ethane

C13H25NO — CID 145260878

IUPAC2-amino-1-(4-methylphenyl)ethanol;ethane
SMILESCC.CC.Cc1ccc(C(O)CN)cc1
InChIInChI=1S/C9H13NO.2C2H6/c1-7-2-4-8(5-3-7)9(11)6-10;2*1-2/h2-5,9,11H,6,10H2,1H3;2*1-2H3
InChIKeyJVVJZALQVHBLKT-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.04
Rot. Bonds2

About 2-amino-1-(4-methylphenyl)ethanol;ethane

2-amino-1-(4-methylphenyl)ethanol;ethane (PubChem CID 145260878) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-amino-1-(4-methylphenyl)ethanol;ethane.

Molecular Properties

Compound Name2-amino-1-(4-methylphenyl)ethanol;ethane
PubChem CID145260878
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2-amino-1-(4-methylphenyl)ethanol;ethane
SMILESCC.CC.Cc1ccc(C(O)CN)cc1
InChIInChI=1S/C9H13NO.2C2H6/c1-7-2-4-8(5-3-7)9(11)6-10;2*1-2/h2-5,9,11H,6,10H2,1H3;2*1-2H3
InChIKeyJVVJZALQVHBLKT-UHFFFAOYSA-N
XLogP3.04
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-phenylethanol;ethane
CID 91425169
2-amino-1-[4-(1-hydroxyethyl)phenyl]ethanol
CID 117278888
(1S)-2-amino-1-(4-ethylphenyl)ethanol
CID 42182576
ethane;1-(4-methylphenyl)butan-1-ol
CID 143727962
2-amino-1-[3-(4-methylphenyl)phenyl]ethanol
CID 82287999
(1R)-1-(4-methylphenyl)propan-1-ol;propane
CID 144859103
(1R)-2-chloro-1-(4-methylphenyl)ethanol
CID 79006103
2-amino-1-[4-(2,4-dimethylphenoxy)phenyl]ethanol
CID 82044821
(1R,5S)-1,3,5-tris(4-methylphenyl)pentane-1,5-diol
CID 139087432
(1S,3R)-1-(4-methylphenyl)butane-1,3-diol
CID 101168301
2-amino-1-[4-(diethylaminomethyl)phenyl]ethanol
CID 117318753
2-amino-1-[4-(1-methoxyethyl)phenyl]ethanol
CID 117285517

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-methylphenyl)ethanol;ethane?
The IUPAC name of 2-amino-1-(4-methylphenyl)ethanol;ethane (CID 145260878) is 2-amino-1-(4-methylphenyl)ethanol;ethane.
What is the SMILES notation for 2-amino-1-(4-methylphenyl)ethanol;ethane?
The canonical SMILES for 2-amino-1-(4-methylphenyl)ethanol;ethane is CC.CC.Cc1ccc(C(O)CN)cc1.
What is the InChIKey of 2-amino-1-(4-methylphenyl)ethanol;ethane?
The InChIKey is JVVJZALQVHBLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO.2C2H6/c1-7-2-4-8(5-3-7)9(11)6-10;2*1-2/h2-5,9,11H,6,10H2,1H3;2*1-2H3.
What are the key properties of 2-amino-1-(4-methylphenyl)ethanol;ethane?
2-amino-1-(4-methylphenyl)ethanol;ethane has a molecular weight of 211.35 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-methylphenyl)ethanol;ethane is sourced from PubChem (CID 145260878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).