1-[(2,5-dimethylphenyl)methylamino]-3-methylbutan-2-ol

C14H23NO — CID 115630684

IUPAC1-[(2,5-dimethylphenyl)methylamino]-3-methylbutan-2-ol
SMILESCc1ccc(C)c(CNCC(O)C(C)C)c1
InChIInChI=1S/C14H23NO/c1-10(2)14(16)9-15-8-13-7-11(3)5-6-12(13)4/h5-7,10,14-16H,8-9H2,1-4H3
InChIKeyFZHDRUPQPHSDCA-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.41
Rot. Bonds5

About 1-[(2,5-dimethylphenyl)methylamino]-3-methylbutan-2-ol

1-[(2,5-dimethylphenyl)methylamino]-3-methylbutan-2-ol (PubChem CID 115630684) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-[(2,5-dimethylphenyl)methylamino]-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-[(2,5-dimethylphenyl)methylamino]-3-methylbutan-2-ol
PubChem CID115630684
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-[(2,5-dimethylphenyl)methylamino]-3-methylbutan-2-ol
SMILESCc1ccc(C)c(CNCC(O)C(C)C)c1
InChIInChI=1S/C14H23NO/c1-10(2)14(16)9-15-8-13-7-11(3)5-6-12(13)4/h5-7,10,14-16H,8-9H2,1-4H3
InChIKeyFZHDRUPQPHSDCA-UHFFFAOYSA-N
XLogP2.41
TPSA32.26 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 ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[(2,5-dimethylphenyl)methyl]-2-methylpropane-1,3-diamine
CID 115198457
(2S)-1-[(2,4-dimethylphenyl)methylamino]propan-2-ol
CID 93033161
5-[(2,5-dimethylphenyl)methylamino]-4-hydroxypentanoic acid
CID 115122672
N-[(2,5-dimethylphenyl)methyl]propan-2-amine
CID 43090140
3-[[(2,5-dimethylphenyl)methylamino]methyl]hexan-1-ol
CID 103707961
1-[(2,5-difluorophenyl)methylamino]-3-methylbutan-2-ol
CID 111421909
2-chloro-N-[(2,5-dimethylphenyl)methyl]-3-methoxypropan-1-amine
CID 65023585
(2,5-dimethylphenyl)methylcarbamic acid
CID 67570724
2-[(2-hydroxy-5-methylphenyl)methylamino]ethane-1,1-diol
CID 101326279
N-[(2,4-dimethylphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 21355535
(2S)-N-[(2,4-dimethylphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 59084805
1-(2,5-dimethylphenyl)-N-(hydrazinylmethyl)methanamine
CID 115260731

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylphenyl)methylamino]-3-methylbutan-2-ol?
The IUPAC name of 1-[(2,5-dimethylphenyl)methylamino]-3-methylbutan-2-ol (CID 115630684) is 1-[(2,5-dimethylphenyl)methylamino]-3-methylbutan-2-ol.
What is the SMILES notation for 1-[(2,5-dimethylphenyl)methylamino]-3-methylbutan-2-ol?
The canonical SMILES for 1-[(2,5-dimethylphenyl)methylamino]-3-methylbutan-2-ol is Cc1ccc(C)c(CNCC(O)C(C)C)c1.
What is the InChIKey of 1-[(2,5-dimethylphenyl)methylamino]-3-methylbutan-2-ol?
The InChIKey is FZHDRUPQPHSDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-10(2)14(16)9-15-8-13-7-11(3)5-6-12(13)4/h5-7,10,14-16H,8-9H2,1-4H3.
What are the key properties of 1-[(2,5-dimethylphenyl)methylamino]-3-methylbutan-2-ol?
1-[(2,5-dimethylphenyl)methylamino]-3-methylbutan-2-ol has a molecular weight of 221.34 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethylphenyl)methylamino]-3-methylbutan-2-ol is sourced from PubChem (CID 115630684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).