1-(3-bromophenoxy)-3-[[(1S)-1-phenylethyl]amino]propan-2-ol

C17H20BrNO2 — CID 63867364

IUPAC1-(3-bromophenoxy)-3-[[(1S)-1-phenylethyl]amino]propan-2-ol
SMILESC[C@H](NCC(O)COc1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C17H20BrNO2/c1-13(14-6-3-2-4-7-14)19-11-16(20)12-21-17-9-5-8-15(18)10-17/h2-10,13,16,19-20H,11-12H2,1H3/t13-,16?/m0/s1
InChIKeyQNJCJYIPVQPDFU-KNVGNIICSA-N
MW350.26 g/mol
LogP3.54
Rot. Bonds7

About 1-(3-bromophenoxy)-3-[[(1S)-1-phenylethyl]amino]propan-2-ol

1-(3-bromophenoxy)-3-[[(1S)-1-phenylethyl]amino]propan-2-ol (PubChem CID 63867364) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is 1-(3-bromophenoxy)-3-[[(1S)-1-phenylethyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-(3-bromophenoxy)-3-[[(1S)-1-phenylethyl]amino]propan-2-ol
PubChem CID63867364
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC Name1-(3-bromophenoxy)-3-[[(1S)-1-phenylethyl]amino]propan-2-ol
SMILESC[C@H](NCC(O)COc1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C17H20BrNO2/c1-13(14-6-3-2-4-7-14)19-11-16(20)12-21-17-9-5-8-15(18)10-17/h2-10,13,16,19-20H,11-12H2,1H3/t13-,16?/m0/s1
InChIKeyQNJCJYIPVQPDFU-KNVGNIICSA-N
XLogP3.54
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenoxy)-3-(1-phenylethylamino)propan-2-ol
CID 60632879
1-(3-bromophenoxy)-3-[[(1S)-1-(furan-2-yl)ethyl]amino]propan-2-ol
CID 81399740
1-(3,4-dimethylphenoxy)-3-(1-phenylethylamino)propan-2-ol chloride
CID 21237830
(2S)-1-(4-methoxyphenoxy)-3-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 7025078
1-[[(1S)-1-(3-bromophenyl)ethyl]amino]-3-methoxypropan-2-ol
CID 81381420
2-[[3-(3-bromophenoxy)-2-hydroxypropyl]amino]-N-methylpropanamide
CID 61464656
1-(3-bromophenoxy)-3-(pent-4-en-2-ylamino)propan-2-ol
CID 113466518
1-[[(1S)-1-(3-bromophenyl)ethyl]amino]-3-propan-2-yloxypropan-2-ol
CID 81381416
methyl 2-[[3-(3-bromophenoxy)-2-hydroxypropyl]amino]-3-methylbutanoate
CID 60910386
2-[[3-(3-bromophenoxy)-2-hydroxypropyl]amino]-3-methylbutanamide
CID 103913988
1-(3-bromophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol
CID 63867516
1-(4-bromophenoxy)-3-[1-(3-chlorophenyl)ethylamino]propan-2-ol;hydrochloride
CID 138960458

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenoxy)-3-[[(1S)-1-phenylethyl]amino]propan-2-ol?
The IUPAC name of 1-(3-bromophenoxy)-3-[[(1S)-1-phenylethyl]amino]propan-2-ol (CID 63867364) is 1-(3-bromophenoxy)-3-[[(1S)-1-phenylethyl]amino]propan-2-ol.
What is the SMILES notation for 1-(3-bromophenoxy)-3-[[(1S)-1-phenylethyl]amino]propan-2-ol?
The canonical SMILES for 1-(3-bromophenoxy)-3-[[(1S)-1-phenylethyl]amino]propan-2-ol is C[C@H](NCC(O)COc1cccc(Br)c1)c1ccccc1.
What is the InChIKey of 1-(3-bromophenoxy)-3-[[(1S)-1-phenylethyl]amino]propan-2-ol?
The InChIKey is QNJCJYIPVQPDFU-KNVGNIICSA-N. The full InChI is InChI=1S/C17H20BrNO2/c1-13(14-6-3-2-4-7-14)19-11-16(20)12-21-17-9-5-8-15(18)10-17/h2-10,13,16,19-20H,11-12H2,1H3/t13-,16?/m0/s1.
What are the key properties of 1-(3-bromophenoxy)-3-[[(1S)-1-phenylethyl]amino]propan-2-ol?
1-(3-bromophenoxy)-3-[[(1S)-1-phenylethyl]amino]propan-2-ol has a molecular weight of 350.26 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenoxy)-3-[[(1S)-1-phenylethyl]amino]propan-2-ol is sourced from PubChem (CID 63867364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).