(2R)-2-[(3-bromo-4-methylphenyl)methylamino]-3-phenylpropan-1-ol

C17H20BrNO — CID 104922947

IUPAC(2R)-2-[(3-bromo-4-methylphenyl)methylamino]-3-phenylpropan-1-ol
SMILESCc1ccc(CN[C@@H](CO)Cc2ccccc2)cc1Br
InChIInChI=1S/C17H20BrNO/c1-13-7-8-15(10-17(13)18)11-19-16(12-20)9-14-5-3-2-4-6-14/h2-8,10,16,19-20H,9,11-12H2,1H3/t16-/m1/s1
InChIKeyPRUXXLKVGOEUBW-MRXNPFEDSA-N
MW334.26 g/mol
LogP3.45
Rot. Bonds6

About (2R)-2-[(3-bromo-4-methylphenyl)methylamino]-3-phenylpropan-1-ol

(2R)-2-[(3-bromo-4-methylphenyl)methylamino]-3-phenylpropan-1-ol (PubChem CID 104922947) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is (2R)-2-[(3-bromo-4-methylphenyl)methylamino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(3-bromo-4-methylphenyl)methylamino]-3-phenylpropan-1-ol
PubChem CID104922947
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name(2R)-2-[(3-bromo-4-methylphenyl)methylamino]-3-phenylpropan-1-ol
SMILESCc1ccc(CN[C@@H](CO)Cc2ccccc2)cc1Br
InChIInChI=1S/C17H20BrNO/c1-13-7-8-15(10-17(13)18)11-19-16(12-20)9-14-5-3-2-4-6-14/h2-8,10,16,19-20H,9,11-12H2,1H3/t16-/m1/s1
InChIKeyPRUXXLKVGOEUBW-MRXNPFEDSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(3-bromo-4-methylphenyl)methylamino]butan-1-ol
CID 105026288
(2R)-2-[(3-bromo-4-methylphenyl)methylamino]butan-1-ol
CID 103924355
(2S)-2-[(4-bromo-3-fluorophenyl)methylamino]-3-phenylpropan-1-ol
CID 102610133
2-[(4-bromo-3-fluorophenyl)methylamino]-3-phenylpropan-1-ol
CID 81002992
2-[(4-bromo-5-methylthiophen-2-yl)methylamino]-3-phenylpropan-1-ol
CID 102835691
(2S)-2-[(2-methylphenyl)methylamino]-3-phenylpropan-1-ol
CID 102610215
4-[[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]phenol
CID 102809787
(2S)-2-[(5-fluoro-2-methylphenyl)methylamino]-3-phenylpropan-1-ol
CID 102610067
(2R)-2-[(4-ethenylphenyl)methylamino]-3-phenylpropan-1-ol
CID 101210967
(2R)-2-[(4-methoxyphenyl)methylamino]-3-phenylpropan-1-ol
CID 104922945
2-(benzylamino)-3-[4-(dimethylamino)phenyl]propan-1-ol
CID 66523313
(2R)-2-[(4-chloro-3-fluorophenyl)methylamino]-3-phenylpropan-1-ol
CID 104922916

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-bromo-4-methylphenyl)methylamino]-3-phenylpropan-1-ol?
The IUPAC name of (2R)-2-[(3-bromo-4-methylphenyl)methylamino]-3-phenylpropan-1-ol (CID 104922947) is (2R)-2-[(3-bromo-4-methylphenyl)methylamino]-3-phenylpropan-1-ol.
What is the SMILES notation for (2R)-2-[(3-bromo-4-methylphenyl)methylamino]-3-phenylpropan-1-ol?
The canonical SMILES for (2R)-2-[(3-bromo-4-methylphenyl)methylamino]-3-phenylpropan-1-ol is Cc1ccc(CN[C@@H](CO)Cc2ccccc2)cc1Br.
What is the InChIKey of (2R)-2-[(3-bromo-4-methylphenyl)methylamino]-3-phenylpropan-1-ol?
The InChIKey is PRUXXLKVGOEUBW-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-13-7-8-15(10-17(13)18)11-19-16(12-20)9-14-5-3-2-4-6-14/h2-8,10,16,19-20H,9,11-12H2,1H3/t16-/m1/s1.
What are the key properties of (2R)-2-[(3-bromo-4-methylphenyl)methylamino]-3-phenylpropan-1-ol?
(2R)-2-[(3-bromo-4-methylphenyl)methylamino]-3-phenylpropan-1-ol has a molecular weight of 334.26 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-bromo-4-methylphenyl)methylamino]-3-phenylpropan-1-ol is sourced from PubChem (CID 104922947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).