3-(aminomethyl)-3-methyl-4-(2-methylphenyl)butan-2-ol

C13H21NO — CID 65392997

IUPAC3-(aminomethyl)-3-methyl-4-(2-methylphenyl)butan-2-ol
SMILESCc1ccccc1CC(C)(CN)C(C)O
InChIInChI=1S/C13H21NO/c1-10-6-4-5-7-12(10)8-13(3,9-14)11(2)15/h4-7,11,15H,8-9,14H2,1-3H3
InChIKeyJSMWSIGJUXBBCL-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.88
Rot. Bonds4

About 3-(aminomethyl)-3-methyl-4-(2-methylphenyl)butan-2-ol

3-(aminomethyl)-3-methyl-4-(2-methylphenyl)butan-2-ol (PubChem CID 65392997) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-(aminomethyl)-3-methyl-4-(2-methylphenyl)butan-2-ol.

Molecular Properties

Compound Name3-(aminomethyl)-3-methyl-4-(2-methylphenyl)butan-2-ol
PubChem CID65392997
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3-(aminomethyl)-3-methyl-4-(2-methylphenyl)butan-2-ol
SMILESCc1ccccc1CC(C)(CN)C(C)O
InChIInChI=1S/C13H21NO/c1-10-6-4-5-7-12(10)8-13(3,9-14)11(2)15/h4-7,11,15H,8-9,14H2,1-3H3
InChIKeyJSMWSIGJUXBBCL-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dimethyl-2-[(2-methylphenyl)methyl]butan-1-ol
CID 83151379
3-(aminomethyl)-4-(2,3-dichlorophenyl)-3-methylbutan-2-ol
CID 107310643
3-(aminomethyl)-4-(3-chloro-2-fluorophenyl)-3-methylbutan-2-ol
CID 102863427
2-fluoro-2-methyl-3-(2-methylphenyl)propan-1-amine
CID 84718573
1-(2,2-dimethylpropyl)-2-methylbenzene
CID 21464495
3-(aminomethyl)-4-(2,6-difluorophenyl)-3-methylbutan-2-ol
CID 114934759
2-(aminomethyl)-3-(2-methylphenyl)-2-phenylpropanoic acid
CID 106489346
2,3,3-trimethyl-4-(2-methylphenyl)butan-2-ol
CID 58555255
3-(aminomethyl)-4-(furan-2-yl)-3-methylbutan-2-ol
CID 65392790
2-methyl-1-(2-methylphenyl)propane-2-thiol
CID 10583708
2-(aminomethyl)-2,3-bis(2-methylphenyl)propanoic acid
CID 106509102
2-methyl-3-(2-methylphenyl)-2-N,2-N-dipropylpropane-1,2-diamine
CID 84752095

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-3-methyl-4-(2-methylphenyl)butan-2-ol?
The IUPAC name of 3-(aminomethyl)-3-methyl-4-(2-methylphenyl)butan-2-ol (CID 65392997) is 3-(aminomethyl)-3-methyl-4-(2-methylphenyl)butan-2-ol.
What is the SMILES notation for 3-(aminomethyl)-3-methyl-4-(2-methylphenyl)butan-2-ol?
The canonical SMILES for 3-(aminomethyl)-3-methyl-4-(2-methylphenyl)butan-2-ol is Cc1ccccc1CC(C)(CN)C(C)O.
What is the InChIKey of 3-(aminomethyl)-3-methyl-4-(2-methylphenyl)butan-2-ol?
The InChIKey is JSMWSIGJUXBBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-10-6-4-5-7-12(10)8-13(3,9-14)11(2)15/h4-7,11,15H,8-9,14H2,1-3H3.
What are the key properties of 3-(aminomethyl)-3-methyl-4-(2-methylphenyl)butan-2-ol?
3-(aminomethyl)-3-methyl-4-(2-methylphenyl)butan-2-ol has a molecular weight of 207.32 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-3-methyl-4-(2-methylphenyl)butan-2-ol is sourced from PubChem (CID 65392997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).