2-(aminomethyl)-1-(2,4-dimethylphenyl)-2-methylbutan-1-ol

C14H23NO — CID 79138441

IUPAC2-(aminomethyl)-1-(2,4-dimethylphenyl)-2-methylbutan-1-ol
SMILESCCC(C)(CN)C(O)c1ccc(C)cc1C
InChIInChI=1S/C14H23NO/c1-5-14(4,9-15)13(16)12-7-6-10(2)8-11(12)3/h6-8,13,16H,5,9,15H2,1-4H3
InChIKeyFLWNHODIZYKKFZ-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.71
Rot. Bonds4

About 2-(aminomethyl)-1-(2,4-dimethylphenyl)-2-methylbutan-1-ol

2-(aminomethyl)-1-(2,4-dimethylphenyl)-2-methylbutan-1-ol (PubChem CID 79138441) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(2,4-dimethylphenyl)-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-1-(2,4-dimethylphenyl)-2-methylbutan-1-ol
PubChem CID79138441
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-(aminomethyl)-1-(2,4-dimethylphenyl)-2-methylbutan-1-ol
SMILESCCC(C)(CN)C(O)c1ccc(C)cc1C
InChIInChI=1S/C14H23NO/c1-5-14(4,9-15)13(16)12-7-6-10(2)8-11(12)3/h6-8,13,16H,5,9,15H2,1-4H3
InChIKeyFLWNHODIZYKKFZ-UHFFFAOYSA-N
XLogP2.71
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dimethylphenyl)-2,2-dimethylpropan-1-ol
CID 15732089
1-(2,4-dimethylphenyl)-3,3-dimethylbutan-1-ol
CID 61100605
2-(aminomethyl)-2-methyl-1-(5-methyl-2-pyridinyl)butan-1-ol
CID 81320392
2-amino-1-(2,4-dimethylphenyl)ethanol;hydrochloride
CID 137346924
1-(2,4-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine
CID 116933377
2-(aminomethyl)-1-(2-fluorophenyl)-2-methylbutan-1-ol
CID 79137948
2-(aminomethyl)-1-(2-methoxyphenyl)-2-methylbutan-1-ol
CID 79135152
(1R)-3-amino-1-(2,4-dimethylphenyl)propan-1-ol
CID 93182212
2-(aminomethyl)-1-(4-methoxy-3-methylphenyl)-2-methylbutan-1-ol
CID 79137885
1-(2,4-dimethylphenyl)-N,N,2,2-tetramethylpropane-1,3-diamine
CID 116904924
2-(aminomethyl)-1-(2-bromo-4,5-dimethoxyphenyl)-2-methylbutan-1-ol
CID 79135066
(3R)-3-amino-3-(2,4-dimethylphenyl)-2,2-dimethylpropan-1-ol
CID 131625562

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-(2,4-dimethylphenyl)-2-methylbutan-1-ol?
The IUPAC name of 2-(aminomethyl)-1-(2,4-dimethylphenyl)-2-methylbutan-1-ol (CID 79138441) is 2-(aminomethyl)-1-(2,4-dimethylphenyl)-2-methylbutan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-1-(2,4-dimethylphenyl)-2-methylbutan-1-ol?
The canonical SMILES for 2-(aminomethyl)-1-(2,4-dimethylphenyl)-2-methylbutan-1-ol is CCC(C)(CN)C(O)c1ccc(C)cc1C.
What is the InChIKey of 2-(aminomethyl)-1-(2,4-dimethylphenyl)-2-methylbutan-1-ol?
The InChIKey is FLWNHODIZYKKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-14(4,9-15)13(16)12-7-6-10(2)8-11(12)3/h6-8,13,16H,5,9,15H2,1-4H3.
What are the key properties of 2-(aminomethyl)-1-(2,4-dimethylphenyl)-2-methylbutan-1-ol?
2-(aminomethyl)-1-(2,4-dimethylphenyl)-2-methylbutan-1-ol has a molecular weight of 221.34 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-(2,4-dimethylphenyl)-2-methylbutan-1-ol is sourced from PubChem (CID 79138441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).