2-(aminomethyl)-4-(2,4-dimethylphenyl)-3-methylbutan-1-ol

C14H23NO — CID 83928000

IUPAC2-(aminomethyl)-4-(2,4-dimethylphenyl)-3-methylbutan-1-ol
SMILESCc1ccc(CC(C)C(CN)CO)c(C)c1
InChIInChI=1S/C14H23NO/c1-10-4-5-13(11(2)6-10)7-12(3)14(8-15)9-16/h4-6,12,14,16H,7-9,15H2,1-3H3
InChIKeyCVTBOMHTSVMRJO-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.05
Rot. Bonds5

About 2-(aminomethyl)-4-(2,4-dimethylphenyl)-3-methylbutan-1-ol

2-(aminomethyl)-4-(2,4-dimethylphenyl)-3-methylbutan-1-ol (PubChem CID 83928000) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-(aminomethyl)-4-(2,4-dimethylphenyl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-4-(2,4-dimethylphenyl)-3-methylbutan-1-ol
PubChem CID83928000
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-(aminomethyl)-4-(2,4-dimethylphenyl)-3-methylbutan-1-ol
SMILESCc1ccc(CC(C)C(CN)CO)c(C)c1
InChIInChI=1S/C14H23NO/c1-10-4-5-13(11(2)6-10)7-12(3)14(8-15)9-16/h4-6,12,14,16H,7-9,15H2,1-3H3
InChIKeyCVTBOMHTSVMRJO-UHFFFAOYSA-N
XLogP2.05
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2,5-dimethylphenyl)propan-2-yl]propane-1,3-diamine
CID 83928106
2-(aminomethyl)-4-(2-methoxy-3,5-dimethylphenyl)-3-methylbutan-1-ol
CID 83941920
(2S)-2-amino-3-(2,4-dimethylphenyl)propan-1-ol;hydrochloride
CID 131885660
1-(2,4-dimethylphenyl)propan-2-amine
CID 541870
2-[1-(2-methoxy-5-methylphenyl)propan-2-yl]propane-1,3-diamine
CID 83933019
2-(aminomethyl)-3-(2,4-dimethylphenyl)-N-propan-2-ylpropanamide
CID 62083291
2-(aminomethyl)-4-(2,3-dichlorophenyl)-3-methylbutan-1-ol
CID 83924661
(2R)-3-(2,4-dimethylphenyl)-2-methylpropanoic acid
CID 96752041
(3S)-4-(2,4-dimethylphenyl)butane-1,3-diamine
CID 162376806
2-[1-(2-ethoxy-5-methylphenyl)propan-2-yl]propane-1,3-diamine
CID 83933623
(2S)-2-[(2,4-dimethylphenyl)methylamino]propan-1-ol
CID 93083054
(2,4-dimethylphenyl)methanamine;propane
CID 143780972

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-(2,4-dimethylphenyl)-3-methylbutan-1-ol?
The IUPAC name of 2-(aminomethyl)-4-(2,4-dimethylphenyl)-3-methylbutan-1-ol (CID 83928000) is 2-(aminomethyl)-4-(2,4-dimethylphenyl)-3-methylbutan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-4-(2,4-dimethylphenyl)-3-methylbutan-1-ol?
The canonical SMILES for 2-(aminomethyl)-4-(2,4-dimethylphenyl)-3-methylbutan-1-ol is Cc1ccc(CC(C)C(CN)CO)c(C)c1.
What is the InChIKey of 2-(aminomethyl)-4-(2,4-dimethylphenyl)-3-methylbutan-1-ol?
The InChIKey is CVTBOMHTSVMRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-10-4-5-13(11(2)6-10)7-12(3)14(8-15)9-16/h4-6,12,14,16H,7-9,15H2,1-3H3.
What are the key properties of 2-(aminomethyl)-4-(2,4-dimethylphenyl)-3-methylbutan-1-ol?
2-(aminomethyl)-4-(2,4-dimethylphenyl)-3-methylbutan-1-ol has a molecular weight of 221.34 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-(2,4-dimethylphenyl)-3-methylbutan-1-ol is sourced from PubChem (CID 83928000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).