2-[amino-(3,4-dimethylphenyl)methyl]-3-methylbutan-1-ol

C14H23NO — CID 116945577

IUPAC2-[amino-(3,4-dimethylphenyl)methyl]-3-methylbutan-1-ol
SMILESCc1ccc(C(N)C(CO)C(C)C)cc1C
InChIInChI=1S/C14H23NO/c1-9(2)13(8-16)14(15)12-6-5-10(3)11(4)7-12/h5-7,9,13-14,16H,8,15H2,1-4H3
InChIKeyAZMNSWZGOLPCSV-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.57
Rot. Bonds4

About 2-[amino-(3,4-dimethylphenyl)methyl]-3-methylbutan-1-ol

2-[amino-(3,4-dimethylphenyl)methyl]-3-methylbutan-1-ol (PubChem CID 116945577) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-[amino-(3,4-dimethylphenyl)methyl]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[amino-(3,4-dimethylphenyl)methyl]-3-methylbutan-1-ol
PubChem CID116945577
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-[amino-(3,4-dimethylphenyl)methyl]-3-methylbutan-1-ol
SMILESCc1ccc(C(N)C(CO)C(C)C)cc1C
InChIInChI=1S/C14H23NO/c1-9(2)13(8-16)14(15)12-6-5-10(3)11(4)7-12/h5-7,9,13-14,16H,8,15H2,1-4H3
InChIKeyAZMNSWZGOLPCSV-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[amino-(6-methylnaphthalen-2-yl)methyl]-3-methylbutan-1-ol
CID 116945692
2-[amino-(3-bromophenyl)methyl]-3-methylbutan-1-ol
CID 116945676
(1R)-1-(3,4-dimethylphenyl)-2-methylbutan-1-amine
CID 131078048
2-[amino-(4-methylsulfanylphenyl)methyl]-3-methylbutan-1-ol
CID 116945647
2-[amino-[4-(2-methylpropyl)phenyl]methyl]-3-methylbutan-1-ol
CID 116945596
(1R)-1-(3,4-dimethylphenyl)-2,2-difluoroethanamine
CID 29069144
(1R)-1-(3,4-dimethylphenyl)ethanamine
CID 7022091
1-(3,4-dimethylphenyl)-2-ethylsulfonylpropan-1-amine
CID 82359986
4-(3,4-dimethylphenyl)hexane-1,2-diol
CID 83927968
2-(3,4-dimethylphenyl)-2-hydroperoxyethanol
CID 134856299
1-(3,4-dimethylphenyl)-N-methyl-2-propan-2-ylpropane-1,3-diamine
CID 116960219
2-[amino(pyridin-3-yl)methyl]-3-methylbutan-1-ol
CID 116945678

Frequently Asked Questions

What is the IUPAC name of 2-[amino-(3,4-dimethylphenyl)methyl]-3-methylbutan-1-ol?
The IUPAC name of 2-[amino-(3,4-dimethylphenyl)methyl]-3-methylbutan-1-ol (CID 116945577) is 2-[amino-(3,4-dimethylphenyl)methyl]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[amino-(3,4-dimethylphenyl)methyl]-3-methylbutan-1-ol?
The canonical SMILES for 2-[amino-(3,4-dimethylphenyl)methyl]-3-methylbutan-1-ol is Cc1ccc(C(N)C(CO)C(C)C)cc1C.
What is the InChIKey of 2-[amino-(3,4-dimethylphenyl)methyl]-3-methylbutan-1-ol?
The InChIKey is AZMNSWZGOLPCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-9(2)13(8-16)14(15)12-6-5-10(3)11(4)7-12/h5-7,9,13-14,16H,8,15H2,1-4H3.
What are the key properties of 2-[amino-(3,4-dimethylphenyl)methyl]-3-methylbutan-1-ol?
2-[amino-(3,4-dimethylphenyl)methyl]-3-methylbutan-1-ol has a molecular weight of 221.34 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino-(3,4-dimethylphenyl)methyl]-3-methylbutan-1-ol is sourced from PubChem (CID 116945577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).