1-[(4-bromophenyl)methyl-methylamino]-3-phenylpropan-2-ol

C17H20BrNO — CID 112810893

IUPAC1-[(4-bromophenyl)methyl-methylamino]-3-phenylpropan-2-ol
SMILESCN(Cc1ccc(Br)cc1)CC(O)Cc1ccccc1
InChIInChI=1S/C17H20BrNO/c1-19(12-15-7-9-16(18)10-8-15)13-17(20)11-14-5-3-2-4-6-14/h2-10,17,20H,11-13H2,1H3
InChIKeyZOFNSMCZOHNAER-UHFFFAOYSA-N
MW334.26 g/mol
LogP3.48
Rot. Bonds6

About 1-[(4-bromophenyl)methyl-methylamino]-3-phenylpropan-2-ol

1-[(4-bromophenyl)methyl-methylamino]-3-phenylpropan-2-ol (PubChem CID 112810893) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl-methylamino]-3-phenylpropan-2-ol.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl-methylamino]-3-phenylpropan-2-ol
PubChem CID112810893
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name1-[(4-bromophenyl)methyl-methylamino]-3-phenylpropan-2-ol
SMILESCN(Cc1ccc(Br)cc1)CC(O)Cc1ccccc1
InChIInChI=1S/C17H20BrNO/c1-19(12-15-7-9-16(18)10-8-15)13-17(20)11-14-5-3-2-4-6-14/h2-10,17,20H,11-13H2,1H3
InChIKeyZOFNSMCZOHNAER-UHFFFAOYSA-N
XLogP3.48
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[benzyl(methyl)amino]-3-[ethyl(methyl)amino]propan-2-ol
CID 110929931
1-[benzyl(methyl)amino]-3-[2,2-dimethylpropyl(methyl)amino]propan-2-ol
CID 110929932
N-[(4-bromophenyl)methyl]-N-methyl-3-phenyl-2-sulfanylpropanamide
CID 107024282
3-N-[(4-bromophenyl)methyl]-3-N-methylpropane-1,2,3-triamine
CID 115119805
1-(4-bromophenyl)-4-(dimethylamino)butan-2-ol
CID 115346011
1-[(4-bromophenyl)methyl-methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 86976023
1-[benzyl(methyl)amino]-5-methylhexane-2,3,4-triol
CID 153440075
3-[benzyl(methyl)amino]-1,1,1-trifluoropropan-2-ol
CID 2765888
3-[benzyl(methyl)amino]-1,1-diphenylpropan-2-ol
CID 12549048
1-[benzyl(prop-2-enyl)amino]-3-phenylpropan-2-ol
CID 112818476
N-[(4-bromophenyl)methyl]-N-methylpropan-1-amine
CID 60777785
1-[(3-bromophenyl)methyl-methylamino]propan-2-ol
CID 61416066

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl-methylamino]-3-phenylpropan-2-ol?
The IUPAC name of 1-[(4-bromophenyl)methyl-methylamino]-3-phenylpropan-2-ol (CID 112810893) is 1-[(4-bromophenyl)methyl-methylamino]-3-phenylpropan-2-ol.
What is the SMILES notation for 1-[(4-bromophenyl)methyl-methylamino]-3-phenylpropan-2-ol?
The canonical SMILES for 1-[(4-bromophenyl)methyl-methylamino]-3-phenylpropan-2-ol is CN(Cc1ccc(Br)cc1)CC(O)Cc1ccccc1.
What is the InChIKey of 1-[(4-bromophenyl)methyl-methylamino]-3-phenylpropan-2-ol?
The InChIKey is ZOFNSMCZOHNAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-19(12-15-7-9-16(18)10-8-15)13-17(20)11-14-5-3-2-4-6-14/h2-10,17,20H,11-13H2,1H3.
What are the key properties of 1-[(4-bromophenyl)methyl-methylamino]-3-phenylpropan-2-ol?
1-[(4-bromophenyl)methyl-methylamino]-3-phenylpropan-2-ol has a molecular weight of 334.26 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl-methylamino]-3-phenylpropan-2-ol is sourced from PubChem (CID 112810893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).