1-amino-2-(4-methylphenyl)pentan-3-ol

C12H19NO — CID 65187998

IUPAC1-amino-2-(4-methylphenyl)pentan-3-ol
SMILESCCC(O)C(CN)c1ccc(C)cc1
InChIInChI=1S/C12H19NO/c1-3-12(14)11(8-13)10-6-4-9(2)5-7-10/h4-7,11-12,14H,3,8,13H2,1-2H3
InChIKeyNHXXFJKOWPNVFY-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.81
Rot. Bonds4

About 1-amino-2-(4-methylphenyl)pentan-3-ol

1-amino-2-(4-methylphenyl)pentan-3-ol (PubChem CID 65187998) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-amino-2-(4-methylphenyl)pentan-3-ol.

Molecular Properties

Compound Name1-amino-2-(4-methylphenyl)pentan-3-ol
PubChem CID65187998
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-amino-2-(4-methylphenyl)pentan-3-ol
SMILESCCC(O)C(CN)c1ccc(C)cc1
InChIInChI=1S/C12H19NO/c1-3-12(14)11(8-13)10-6-4-9(2)5-7-10/h4-7,11-12,14H,3,8,13H2,1-2H3
InChIKeyNHXXFJKOWPNVFY-UHFFFAOYSA-N
XLogP1.81
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-4-ethyl-2-(4-methylphenyl)hexan-3-ol
CID 65187944
1-amino-4-methyl-2-(4-methylphenyl)pentan-3-ol
CID 65187887
3-amino-2-(4-methylphenyl)-1-pyridin-4-ylpropan-1-ol
CID 65188149
1-amino-2-pyridin-3-ylpentan-3-ol
CID 80523388
2-amino-1-(4-methylphenyl)ethanol;ethane
CID 145260878
3-amino-1-cyclooctyl-2-(4-methylphenyl)propan-1-ol
CID 65187996
4-[(3S)-4-hydroxyhexan-3-yl]phenol
CID 175488649
4-[4-(4-methylphenyl)hexan-3-yl]phenol
CID 3847836
3-amino-2-(4-methylphenyl)-1-(3-methylthiophen-2-yl)propan-1-ol
CID 65187789
1-amino-2-(4-bromophenyl)-5-methylheptan-3-ol
CID 114877278
4-(4-phenylphenyl)hexan-3-ol
CID 175539403
(1R)-1-(4-methylphenyl)propan-1-ol;propane
CID 144859103

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(4-methylphenyl)pentan-3-ol?
The IUPAC name of 1-amino-2-(4-methylphenyl)pentan-3-ol (CID 65187998) is 1-amino-2-(4-methylphenyl)pentan-3-ol.
What is the SMILES notation for 1-amino-2-(4-methylphenyl)pentan-3-ol?
The canonical SMILES for 1-amino-2-(4-methylphenyl)pentan-3-ol is CCC(O)C(CN)c1ccc(C)cc1.
What is the InChIKey of 1-amino-2-(4-methylphenyl)pentan-3-ol?
The InChIKey is NHXXFJKOWPNVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-3-12(14)11(8-13)10-6-4-9(2)5-7-10/h4-7,11-12,14H,3,8,13H2,1-2H3.
What are the key properties of 1-amino-2-(4-methylphenyl)pentan-3-ol?
1-amino-2-(4-methylphenyl)pentan-3-ol has a molecular weight of 193.29 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(4-methylphenyl)pentan-3-ol is sourced from PubChem (CID 65187998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).