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

C13H21NO — CID 65184879

IUPAC1-amino-4-methyl-2-(2-methylphenyl)pentan-3-ol
SMILESCc1ccccc1C(CN)C(O)C(C)C
InChIInChI=1S/C13H21NO/c1-9(2)13(15)12(8-14)11-7-5-4-6-10(11)3/h4-7,9,12-13,15H,8,14H2,1-3H3
InChIKeyVIRLHTFKMJKISK-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.05
Rot. Bonds4

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

1-amino-4-methyl-2-(2-methylphenyl)pentan-3-ol (PubChem CID 65184879) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-amino-4-methyl-2-(2-methylphenyl)pentan-3-ol.

Molecular Properties

Compound Name1-amino-4-methyl-2-(2-methylphenyl)pentan-3-ol
PubChem CID65184879
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-amino-4-methyl-2-(2-methylphenyl)pentan-3-ol
SMILESCc1ccccc1C(CN)C(O)C(C)C
InChIInChI=1S/C13H21NO/c1-9(2)13(15)12(8-14)11-7-5-4-6-10(11)3/h4-7,9,12-13,15H,8,14H2,1-3H3
InChIKeyVIRLHTFKMJKISK-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

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3-amino-1-(2-fluoro-3-methylphenyl)-2-(2-methylphenyl)propan-1-ol
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3-amino-2-(2-methylphenyl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-ol
CID 65185130
(1R,2S)-1-amino-3-methyl-1-(2-methylphenyl)butan-2-ol;hydrochloride
CID 171160093
3-methyl-2-(2-methylphenyl)hexan-1-amine
CID 107886318
3-amino-1-(2-bromo-3-methylphenyl)-2-(2-methylphenyl)propan-1-ol
CID 107984152
3-amino-2-(4-bromophenyl)-1-(2-methylphenyl)propan-1-ol
CID 65186404
3-amino-1-(3,5-dimethylphenyl)-2-(2-methylphenyl)propan-1-ol
CID 65186415
1-amino-2,5-bis(2-methylphenyl)pentan-3-ol
CID 65186565
3-amino-2-(2-methylphenyl)-1-(4-methylsulfanylphenyl)propan-1-ol
CID 79206483
1-amino-4-methyl-2-(4-methylphenyl)pentan-3-ol
CID 65187887

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-methyl-2-(2-methylphenyl)pentan-3-ol?
The IUPAC name of 1-amino-4-methyl-2-(2-methylphenyl)pentan-3-ol (CID 65184879) is 1-amino-4-methyl-2-(2-methylphenyl)pentan-3-ol.
What is the SMILES notation for 1-amino-4-methyl-2-(2-methylphenyl)pentan-3-ol?
The canonical SMILES for 1-amino-4-methyl-2-(2-methylphenyl)pentan-3-ol is Cc1ccccc1C(CN)C(O)C(C)C.
What is the InChIKey of 1-amino-4-methyl-2-(2-methylphenyl)pentan-3-ol?
The InChIKey is VIRLHTFKMJKISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-9(2)13(15)12(8-14)11-7-5-4-6-10(11)3/h4-7,9,12-13,15H,8,14H2,1-3H3.
What are the key properties of 1-amino-4-methyl-2-(2-methylphenyl)pentan-3-ol?
1-amino-4-methyl-2-(2-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-(2-methylphenyl)pentan-3-ol is sourced from PubChem (CID 65184879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).