1-(2-bromo-4-methylanilino)-3-phenylmethoxypropan-2-ol

C17H20BrNO2 — CID 60898020

IUPAC1-(2-bromo-4-methylanilino)-3-phenylmethoxypropan-2-ol
SMILESCc1ccc(NCC(O)COCc2ccccc2)c(Br)c1
InChIInChI=1S/C17H20BrNO2/c1-13-7-8-17(16(18)9-13)19-10-15(20)12-21-11-14-5-3-2-4-6-14/h2-9,15,19-20H,10-12H2,1H3
InChIKeyIRAMVDHYYHSYPE-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.75
Rot. Bonds7

About 1-(2-bromo-4-methylanilino)-3-phenylmethoxypropan-2-ol

1-(2-bromo-4-methylanilino)-3-phenylmethoxypropan-2-ol (PubChem CID 60898020) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is 1-(2-bromo-4-methylanilino)-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name1-(2-bromo-4-methylanilino)-3-phenylmethoxypropan-2-ol
PubChem CID60898020
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC Name1-(2-bromo-4-methylanilino)-3-phenylmethoxypropan-2-ol
SMILESCc1ccc(NCC(O)COCc2ccccc2)c(Br)c1
InChIInChI=1S/C17H20BrNO2/c1-13-7-8-17(16(18)9-13)19-10-15(20)12-21-11-14-5-3-2-4-6-14/h2-9,15,19-20H,10-12H2,1H3
InChIKeyIRAMVDHYYHSYPE-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-4-chloroanilino)-3-phenylmethoxypropan-2-ol
CID 81270209
1-(2-fluoro-5-methylanilino)-3-phenylmethoxypropan-2-ol
CID 60900779
1-(2-bromo-4-methylanilino)-3-(2-methylpropoxy)propan-2-ol
CID 60898402
1-(2-bromoanilino)-3-[(4-chlorophenyl)methoxy]propan-2-ol
CID 60897419
1-(2-bromo-4-methylanilino)butan-2-ol
CID 60886416
[(2R)-3-(2-bromo-4-methylanilino)-2-hydroxypropyl]azanium
CID 7452472
1-[(4-methylphenyl)methylamino]-3-phenylmethoxypropan-2-ol
CID 60632327
N-benzyl-2-bromo-4-methylaniline
CID 11242845
1-[1-(4-methylphenyl)ethylamino]-3-phenylmethoxypropan-2-ol
CID 110904741
1-(2-bromo-4-methylanilino)-3-(dimethylamino)propan-2-ol
CID 60897447
1-[(2-methylpropan-2-yl)oxyamino]-3-phenylmethoxypropan-2-ol
CID 82723320
1-[(4-chlorophenyl)methoxy]-3-(2-methylanilino)propan-2-ol
CID 60900159

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methylanilino)-3-phenylmethoxypropan-2-ol?
The IUPAC name of 1-(2-bromo-4-methylanilino)-3-phenylmethoxypropan-2-ol (CID 60898020) is 1-(2-bromo-4-methylanilino)-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for 1-(2-bromo-4-methylanilino)-3-phenylmethoxypropan-2-ol?
The canonical SMILES for 1-(2-bromo-4-methylanilino)-3-phenylmethoxypropan-2-ol is Cc1ccc(NCC(O)COCc2ccccc2)c(Br)c1.
What is the InChIKey of 1-(2-bromo-4-methylanilino)-3-phenylmethoxypropan-2-ol?
The InChIKey is IRAMVDHYYHSYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2/c1-13-7-8-17(16(18)9-13)19-10-15(20)12-21-11-14-5-3-2-4-6-14/h2-9,15,19-20H,10-12H2,1H3.
What are the key properties of 1-(2-bromo-4-methylanilino)-3-phenylmethoxypropan-2-ol?
1-(2-bromo-4-methylanilino)-3-phenylmethoxypropan-2-ol has a molecular weight of 350.26 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-methylanilino)-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 60898020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).