1-(3-bromophenyl)-2-(4-propylanilino)ethanol

C17H20BrNO — CID 60909148

IUPAC1-(3-bromophenyl)-2-(4-propylanilino)ethanol
SMILESCCCc1ccc(NCC(O)c2cccc(Br)c2)cc1
InChIInChI=1S/C17H20BrNO/c1-2-4-13-7-9-16(10-8-13)19-12-17(20)14-5-3-6-15(18)11-14/h3,5-11,17,19-20H,2,4,12H2,1H3
InChIKeyKUNQWTQEOKLKIP-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.55
Rot. Bonds6

About 1-(3-bromophenyl)-2-(4-propylanilino)ethanol

1-(3-bromophenyl)-2-(4-propylanilino)ethanol (PubChem CID 60909148) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-(4-propylanilino)ethanol.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-(4-propylanilino)ethanol
PubChem CID60909148
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name1-(3-bromophenyl)-2-(4-propylanilino)ethanol
SMILESCCCc1ccc(NCC(O)c2cccc(Br)c2)cc1
InChIInChI=1S/C17H20BrNO/c1-2-4-13-7-9-16(10-8-13)19-12-17(20)14-5-3-6-15(18)11-14/h3,5-11,17,19-20H,2,4,12H2,1H3
InChIKeyKUNQWTQEOKLKIP-UHFFFAOYSA-N
XLogP4.55
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethylanilino)-1-(3-fluorophenyl)ethanol
CID 60901648
(1R)-1-(3-bromophenyl)-2-(methylamino)ethanol
CID 39247726
2-(3-bromoanilino)-1-phenylethanol
CID 60719910
4-[2-[[(2R)-2-(3-bromophenyl)-2-hydroxyethyl]amino]ethyl]phenol
CID 67873607
1-(4-propylanilino)propan-2-ol
CID 60884974
1-(3-bromophenyl)butan-1-ol
CID 18417756
[(3-bromophenyl)-(4-propylphenyl)methyl]hydrazine
CID 105197895
1-(3-bromophenyl)-2-(3-ethynylanilino)ethanol
CID 60902934
1-(3-bromophenyl)-2-[3-(trifluoromethyl)anilino]ethanol
CID 60897660
3-[[2-(3-bromophenyl)-2-hydroxyethyl]amino]-2,3-dimethylbutan-2-ol
CID 113362913
1-(3-bromophenyl)-2-(hexan-2-ylamino)ethanol
CID 55050060
1-(3-bromophenyl)-2-(2-ethoxyanilino)ethanol
CID 60896322

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-(4-propylanilino)ethanol?
The IUPAC name of 1-(3-bromophenyl)-2-(4-propylanilino)ethanol (CID 60909148) is 1-(3-bromophenyl)-2-(4-propylanilino)ethanol.
What is the SMILES notation for 1-(3-bromophenyl)-2-(4-propylanilino)ethanol?
The canonical SMILES for 1-(3-bromophenyl)-2-(4-propylanilino)ethanol is CCCc1ccc(NCC(O)c2cccc(Br)c2)cc1.
What is the InChIKey of 1-(3-bromophenyl)-2-(4-propylanilino)ethanol?
The InChIKey is KUNQWTQEOKLKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-2-4-13-7-9-16(10-8-13)19-12-17(20)14-5-3-6-15(18)11-14/h3,5-11,17,19-20H,2,4,12H2,1H3.
What are the key properties of 1-(3-bromophenyl)-2-(4-propylanilino)ethanol?
1-(3-bromophenyl)-2-(4-propylanilino)ethanol has a molecular weight of 334.26 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-(4-propylanilino)ethanol is sourced from PubChem (CID 60909148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).