1-(3-bromo-4-methylphenyl)-2-(ethylamino)propan-1-ol

C12H18BrNO — CID 105402863

IUPAC1-(3-bromo-4-methylphenyl)-2-(ethylamino)propan-1-ol
SMILESCCNC(C)C(O)c1ccc(C)c(Br)c1
InChIInChI=1S/C12H18BrNO/c1-4-14-9(3)12(15)10-6-5-8(2)11(13)7-10/h5-7,9,12,14-15H,4H2,1-3H3
InChIKeyTUASOAIHKHAJQQ-UHFFFAOYSA-N
MW272.19 g/mol
LogP2.79
Rot. Bonds4

About 1-(3-bromo-4-methylphenyl)-2-(ethylamino)propan-1-ol

1-(3-bromo-4-methylphenyl)-2-(ethylamino)propan-1-ol (PubChem CID 105402863) has the molecular formula C12H18BrNO and a molecular weight of 272.19 g/mol. Its IUPAC name is 1-(3-bromo-4-methylphenyl)-2-(ethylamino)propan-1-ol.

Molecular Properties

Compound Name1-(3-bromo-4-methylphenyl)-2-(ethylamino)propan-1-ol
PubChem CID105402863
Molecular FormulaC12H18BrNO
Molecular Weight272.19 g/mol
Exact Mass271.06
IUPAC Name1-(3-bromo-4-methylphenyl)-2-(ethylamino)propan-1-ol
SMILESCCNC(C)C(O)c1ccc(C)c(Br)c1
InChIInChI=1S/C12H18BrNO/c1-4-14-9(3)12(15)10-6-5-8(2)11(13)7-10/h5-7,9,12,14-15H,4H2,1-3H3
InChIKeyTUASOAIHKHAJQQ-UHFFFAOYSA-N
XLogP2.79
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-4-methylphenyl)-N-ethyl-2-methylbutan-1-amine
CID 105017369
2-(ethylamino)-1-(4-methylphenyl)propan-1-ol;hydrochloride
CID 76974190
4-[2-(ethylamino)-1-hydroxypropyl]benzene-1,2-diol;hydrobromide
CID 169439116
N-[(3-bromo-4-methylphenyl)-phenylmethyl]ethanamine
CID 81471923
1-(3-bromo-4-methylphenyl)butan-1-ol
CID 112694547
2-(butan-2-ylamino)-1-(3,4-dimethylphenyl)propan-1-ol
CID 82312487
1-(2,3-dihydro-1-benzothiophen-6-yl)-2-(ethylamino)propan-1-ol
CID 168764187
ethyl 2-amino-3-(3-bromo-4-methylphenyl)-3-hydroxypropanoate
CID 105405910
1-(3-bromo-4-methylphenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine
CID 105044410
2-(ethylamino)-1-(3-ethyl-4-methoxyphenyl)propan-1-ol
CID 112512326
1-(3-bromo-4-methylphenyl)-2-(3,5-dimethylphenyl)-N-ethylethanamine
CID 115800248
N-[3-(3-bromo-4-methylphenyl)-2,3-dihydroxypropyl]acetamide
CID 170831130

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methylphenyl)-2-(ethylamino)propan-1-ol?
The IUPAC name of 1-(3-bromo-4-methylphenyl)-2-(ethylamino)propan-1-ol (CID 105402863) is 1-(3-bromo-4-methylphenyl)-2-(ethylamino)propan-1-ol.
What is the SMILES notation for 1-(3-bromo-4-methylphenyl)-2-(ethylamino)propan-1-ol?
The canonical SMILES for 1-(3-bromo-4-methylphenyl)-2-(ethylamino)propan-1-ol is CCNC(C)C(O)c1ccc(C)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-methylphenyl)-2-(ethylamino)propan-1-ol?
The InChIKey is TUASOAIHKHAJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO/c1-4-14-9(3)12(15)10-6-5-8(2)11(13)7-10/h5-7,9,12,14-15H,4H2,1-3H3.
What are the key properties of 1-(3-bromo-4-methylphenyl)-2-(ethylamino)propan-1-ol?
1-(3-bromo-4-methylphenyl)-2-(ethylamino)propan-1-ol has a molecular weight of 272.19 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methylphenyl)-2-(ethylamino)propan-1-ol is sourced from PubChem (CID 105402863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).