(2S)-2-[1-(4-bromophenyl)propylamino]-2-phenylethanol

C17H20BrNO — CID 103784133

IUPAC(2S)-2-[1-(4-bromophenyl)propylamino]-2-phenylethanol
SMILESCCC(N[C@H](CO)c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C17H20BrNO/c1-2-16(14-8-10-15(18)11-9-14)19-17(12-20)13-6-4-3-5-7-13/h3-11,16-17,19-20H,2,12H2,1H3/t16?,17-/m1/s1
InChIKeyLAJZKJNMMLPZCT-ZYMOGRSISA-N
MW334.26 g/mol
LogP4.22
Rot. Bonds6

About (2S)-2-[1-(4-bromophenyl)propylamino]-2-phenylethanol

(2S)-2-[1-(4-bromophenyl)propylamino]-2-phenylethanol (PubChem CID 103784133) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is (2S)-2-[1-(4-bromophenyl)propylamino]-2-phenylethanol.

Molecular Properties

Compound Name(2S)-2-[1-(4-bromophenyl)propylamino]-2-phenylethanol
PubChem CID103784133
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name(2S)-2-[1-(4-bromophenyl)propylamino]-2-phenylethanol
SMILESCCC(N[C@H](CO)c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C17H20BrNO/c1-2-16(14-8-10-15(18)11-9-14)19-17(12-20)13-6-4-3-5-7-13/h3-11,16-17,19-20H,2,12H2,1H3/t16?,17-/m1/s1
InChIKeyLAJZKJNMMLPZCT-ZYMOGRSISA-N
XLogP4.22
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 ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[1-(4-bromophenyl)ethylamino]-2-phenylethanol
CID 103729730
2-[1-(4-bromophenyl)ethylamino]-2-phenylethanol
CID 55158261
1-(4-bromophenyl)-N-[(1R)-1-phenylethyl]propan-1-amine
CID 81350988
1-(4-bromophenyl)-N-[(1S)-1-phenylethyl]propan-1-amine
CID 81350927
(2R)-2-[1-(4-bromophenyl)propan-2-ylamino]-2-phenylethanol
CID 103522284
(2S)-2-phenyl-2-(1-phenylbutylamino)ethanol
CID 103783978
(2R)-2-[[(1R)-1-(4-bromo-5-methylfuran-2-yl)propyl]amino]-2-phenylethanol
CID 59664765
2-phenyl-2-(1-thiophen-2-ylpropylamino)ethanol
CID 63182371
(2S)-2-[1-(2-fluorophenyl)propylamino]-2-phenylethanol
CID 103948350
(2R)-2-[[(1S)-1-phenylpropyl]amino]butan-1-ol
CID 28723478
(2R)-2-[1-(2-methoxyphenyl)propylamino]-2-phenylethanol
CID 103788814
2-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-2-phenylethanol
CID 67128601

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-(4-bromophenyl)propylamino]-2-phenylethanol?
The IUPAC name of (2S)-2-[1-(4-bromophenyl)propylamino]-2-phenylethanol (CID 103784133) is (2S)-2-[1-(4-bromophenyl)propylamino]-2-phenylethanol.
What is the SMILES notation for (2S)-2-[1-(4-bromophenyl)propylamino]-2-phenylethanol?
The canonical SMILES for (2S)-2-[1-(4-bromophenyl)propylamino]-2-phenylethanol is CCC(N[C@H](CO)c1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of (2S)-2-[1-(4-bromophenyl)propylamino]-2-phenylethanol?
The InChIKey is LAJZKJNMMLPZCT-ZYMOGRSISA-N. The full InChI is InChI=1S/C17H20BrNO/c1-2-16(14-8-10-15(18)11-9-14)19-17(12-20)13-6-4-3-5-7-13/h3-11,16-17,19-20H,2,12H2,1H3/t16?,17-/m1/s1.
What are the key properties of (2S)-2-[1-(4-bromophenyl)propylamino]-2-phenylethanol?
(2S)-2-[1-(4-bromophenyl)propylamino]-2-phenylethanol has a molecular weight of 334.26 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-(4-bromophenyl)propylamino]-2-phenylethanol is sourced from PubChem (CID 103784133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).