2-(4-bromoanilino)-3-phenylpropan-1-ol

C15H16BrNO — CID 61049860

IUPAC2-(4-bromoanilino)-3-phenylpropan-1-ol
SMILESOCC(Cc1ccccc1)Nc1ccc(Br)cc1
InChIInChI=1S/C15H16BrNO/c16-13-6-8-14(9-7-13)17-15(11-18)10-12-4-2-1-3-5-12/h1-9,15,17-18H,10-11H2
InChIKeyHAURREBEGMCOQA-UHFFFAOYSA-N
MW306.20 g/mol
LogP3.46
Rot. Bonds5

About 2-(4-bromoanilino)-3-phenylpropan-1-ol

2-(4-bromoanilino)-3-phenylpropan-1-ol (PubChem CID 61049860) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is 2-(4-bromoanilino)-3-phenylpropan-1-ol.

Molecular Properties

Compound Name2-(4-bromoanilino)-3-phenylpropan-1-ol
PubChem CID61049860
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC Name2-(4-bromoanilino)-3-phenylpropan-1-ol
SMILESOCC(Cc1ccccc1)Nc1ccc(Br)cc1
InChIInChI=1S/C15H16BrNO/c16-13-6-8-14(9-7-13)17-15(11-18)10-12-4-2-1-3-5-12/h1-9,15,17-18H,10-11H2
InChIKeyHAURREBEGMCOQA-UHFFFAOYSA-N
XLogP3.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-phenyl-2-(pyridin-4-ylamino)propan-1-ol
CID 55169769
4-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]benzonitrile
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2-[(5-bromo-2-pyridinyl)amino]-3-phenylpropan-1-ol
CID 63260770
(2R)-2-[1-(4-bromophenyl)propan-2-ylamino]-3-phenylpropan-1-ol
CID 103522475
2-(5-bromo-2-nitroanilino)-3-phenylpropan-1-ol
CID 65343602
4-chloro-N-(1,3-diphenylpropan-2-yl)aniline
CID 175391437
2-[(5-bromo-2-chlorophenyl)methylamino]-3-phenylpropan-1-ol
CID 103793106
2-[1-(2,4-dibromophenyl)ethylamino]-3-phenylpropan-1-ol
CID 63260856
(2R)-2-[1-(2,4-dibromophenyl)ethylamino]-3-phenylpropan-1-ol
CID 107860710
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
2-(3-amino-4-nitroanilino)-3-phenylpropan-1-ol
CID 106749289
2-amino-5-bromo-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 107861126

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoanilino)-3-phenylpropan-1-ol?
The IUPAC name of 2-(4-bromoanilino)-3-phenylpropan-1-ol (CID 61049860) is 2-(4-bromoanilino)-3-phenylpropan-1-ol.
What is the SMILES notation for 2-(4-bromoanilino)-3-phenylpropan-1-ol?
The canonical SMILES for 2-(4-bromoanilino)-3-phenylpropan-1-ol is OCC(Cc1ccccc1)Nc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromoanilino)-3-phenylpropan-1-ol?
The InChIKey is HAURREBEGMCOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO/c16-13-6-8-14(9-7-13)17-15(11-18)10-12-4-2-1-3-5-12/h1-9,15,17-18H,10-11H2.
What are the key properties of 2-(4-bromoanilino)-3-phenylpropan-1-ol?
2-(4-bromoanilino)-3-phenylpropan-1-ol has a molecular weight of 306.20 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromoanilino)-3-phenylpropan-1-ol is sourced from PubChem (CID 61049860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).