1-(4-amino-2-methylphenyl)-2-ethylbutan-1-ol

C13H21NO — CID 163762352

IUPAC1-(4-amino-2-methylphenyl)-2-ethylbutan-1-ol
SMILESCCC(CC)C(O)c1ccc(N)cc1C
InChIInChI=1S/C13H21NO/c1-4-10(5-2)13(15)12-7-6-11(14)8-9(12)3/h6-8,10,13,15H,4-5,14H2,1-3H3
InChIKeyLZGNDVYKWPFNPI-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.05
Rot. Bonds4

About 1-(4-amino-2-methylphenyl)-2-ethylbutan-1-ol

1-(4-amino-2-methylphenyl)-2-ethylbutan-1-ol (PubChem CID 163762352) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(4-amino-2-methylphenyl)-2-ethylbutan-1-ol.

Molecular Properties

Compound Name1-(4-amino-2-methylphenyl)-2-ethylbutan-1-ol
PubChem CID163762352
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-(4-amino-2-methylphenyl)-2-ethylbutan-1-ol
SMILESCCC(CC)C(O)c1ccc(N)cc1C
InChIInChI=1S/C13H21NO/c1-4-10(5-2)13(15)12-7-6-11(14)8-9(12)3/h6-8,10,13,15H,4-5,14H2,1-3H3
InChIKeyLZGNDVYKWPFNPI-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2,5-dimethylphenyl)-2-ethylbutan-1-ol
CID 61088457
1-(5-chloro-2-methylphenyl)-2-ethylbutan-1-ol
CID 115821957
1-(2,4-dimethylphenyl)-3-ethylpentane-1,2-diol
CID 103459685
4-[1-(4-amino-2-methylphenyl)ethyl]-3-methylaniline
CID 688047
4-[(1R)-1-aminoethyl]-3-methylaniline
CID 55273899
3-(1-aminopropyl)-4-methylaniline
CID 130000361
4-[(1R)-1-amino-2-methylpropyl]-3-methylaniline
CID 55275534
2-(aminomethyl)-1-(5-chloro-2-methylphenyl)butan-1-ol
CID 82891206
2-ethyl-1-(2-methoxy-4-methylphenyl)butan-1-ol
CID 106790666
1-(2,6-dimethyl-3-pyridinyl)-2-ethylbutan-1-ol
CID 105114692
4-[1-[4-[12-[4-[1-(4-amino-2-methylphenyl)propyl]phenyl]dodecyl]phenyl]propyl]-3-methylaniline
CID 22920078
1-(3,5-dimethylphenyl)-2-ethylbutan-1-ol
CID 63894692

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-methylphenyl)-2-ethylbutan-1-ol?
The IUPAC name of 1-(4-amino-2-methylphenyl)-2-ethylbutan-1-ol (CID 163762352) is 1-(4-amino-2-methylphenyl)-2-ethylbutan-1-ol.
What is the SMILES notation for 1-(4-amino-2-methylphenyl)-2-ethylbutan-1-ol?
The canonical SMILES for 1-(4-amino-2-methylphenyl)-2-ethylbutan-1-ol is CCC(CC)C(O)c1ccc(N)cc1C.
What is the InChIKey of 1-(4-amino-2-methylphenyl)-2-ethylbutan-1-ol?
The InChIKey is LZGNDVYKWPFNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-10(5-2)13(15)12-7-6-11(14)8-9(12)3/h6-8,10,13,15H,4-5,14H2,1-3H3.
What are the key properties of 1-(4-amino-2-methylphenyl)-2-ethylbutan-1-ol?
1-(4-amino-2-methylphenyl)-2-ethylbutan-1-ol has a molecular weight of 207.32 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-methylphenyl)-2-ethylbutan-1-ol is sourced from PubChem (CID 163762352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).