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

C13H21NO — CID 65187887

IUPAC1-amino-4-methyl-2-(4-methylphenyl)pentan-3-ol
SMILESCc1ccc(C(CN)C(O)C(C)C)cc1
InChIInChI=1S/C13H21NO/c1-9(2)13(15)12(8-14)11-6-4-10(3)5-7-11/h4-7,9,12-13,15H,8,14H2,1-3H3
InChIKeyATJCDRVLTTWJRV-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.05
Rot. Bonds4

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

1-amino-4-methyl-2-(4-methylphenyl)pentan-3-ol (PubChem CID 65187887) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-amino-4-methyl-2-(4-methylphenyl)pentan-3-ol.

Molecular Properties

Compound Name1-amino-4-methyl-2-(4-methylphenyl)pentan-3-ol
PubChem CID65187887
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-amino-4-methyl-2-(4-methylphenyl)pentan-3-ol
SMILESCc1ccc(C(CN)C(O)C(C)C)cc1
InChIInChI=1S/C13H21NO/c1-9(2)13(15)12(8-14)11-6-4-10(3)5-7-11/h4-7,9,12-13,15H,8,14H2,1-3H3
InChIKeyATJCDRVLTTWJRV-UHFFFAOYSA-N
XLogP2.05
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.05
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-2-(4-methylphenyl)pentan-3-ol
CID 65187998
3-amino-1-(4-fluoro-3-methylphenyl)-2-(4-methylphenyl)propan-1-ol
CID 65187891
3-amino-2-(4-methylphenyl)-1-pyridin-4-ylpropan-1-ol
CID 65188149
2-amino-1-(4-methylphenyl)ethanol;ethane
CID 145260878
3-amino-1-cyclooctyl-2-(4-methylphenyl)propan-1-ol
CID 65187996
1-amino-4-methyl-2-(2-methylphenyl)pentan-3-ol
CID 65184879
3-amino-1-(4-bromo-3-chlorophenyl)-2-(4-methylphenyl)propan-1-ol
CID 81308542
3-amino-2-(4-methylphenyl)-1-(3-methylthiophen-2-yl)propan-1-ol
CID 65187789
1-methyl-4-[(3R)-2-methylpentan-3-yl]benzene
CID 176819628
3-amino-1-(5-bromofuran-2-yl)-2-(4-methylphenyl)propan-1-ol
CID 65187892
3-amino-1-(3-fluoro-4-methoxyphenyl)-2-(4-methylphenyl)propan-1-ol
CID 65187886

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-methyl-2-(4-methylphenyl)pentan-3-ol?
The IUPAC name of 1-amino-4-methyl-2-(4-methylphenyl)pentan-3-ol (CID 65187887) is 1-amino-4-methyl-2-(4-methylphenyl)pentan-3-ol.
What is the SMILES notation for 1-amino-4-methyl-2-(4-methylphenyl)pentan-3-ol?
The canonical SMILES for 1-amino-4-methyl-2-(4-methylphenyl)pentan-3-ol is Cc1ccc(C(CN)C(O)C(C)C)cc1.
What is the InChIKey of 1-amino-4-methyl-2-(4-methylphenyl)pentan-3-ol?
The InChIKey is ATJCDRVLTTWJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-9(2)13(15)12(8-14)11-6-4-10(3)5-7-11/h4-7,9,12-13,15H,8,14H2,1-3H3.
What are the key properties of 1-amino-4-methyl-2-(4-methylphenyl)pentan-3-ol?
1-amino-4-methyl-2-(4-methylphenyl)pentan-3-ol has a molecular weight of 207.32 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-methyl-2-(4-methylphenyl)pentan-3-ol is sourced from PubChem (CID 65187887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).