3-[(2-bromophenyl)methyl-methylamino]-1-(3-chlorophenyl)propan-1-ol

C17H19BrClNO — CID 62624570

IUPAC3-[(2-bromophenyl)methyl-methylamino]-1-(3-chlorophenyl)propan-1-ol
SMILESCN(CCC(O)c1cccc(Cl)c1)Cc1ccccc1Br
InChIInChI=1S/C17H19BrClNO/c1-20(12-14-5-2-3-8-16(14)18)10-9-17(21)13-6-4-7-15(19)11-13/h2-8,11,17,21H,9-10,12H2,1H3
InChIKeyWFCMNMBWLPIOCQ-UHFFFAOYSA-N
MW368.70 g/mol
LogP4.66
Rot. Bonds6

About 3-[(2-bromophenyl)methyl-methylamino]-1-(3-chlorophenyl)propan-1-ol

3-[(2-bromophenyl)methyl-methylamino]-1-(3-chlorophenyl)propan-1-ol (PubChem CID 62624570) has the molecular formula C17H19BrClNO and a molecular weight of 368.70 g/mol. Its IUPAC name is 3-[(2-bromophenyl)methyl-methylamino]-1-(3-chlorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-[(2-bromophenyl)methyl-methylamino]-1-(3-chlorophenyl)propan-1-ol
PubChem CID62624570
Molecular FormulaC17H19BrClNO
Molecular Weight368.70 g/mol
Exact Mass367.03
IUPAC Name3-[(2-bromophenyl)methyl-methylamino]-1-(3-chlorophenyl)propan-1-ol
SMILESCN(CCC(O)c1cccc(Cl)c1)Cc1ccccc1Br
InChIInChI=1S/C17H19BrClNO/c1-20(12-14-5-2-3-8-16(14)18)10-9-17(21)13-6-4-7-15(19)11-13/h2-8,11,17,21H,9-10,12H2,1H3
InChIKeyWFCMNMBWLPIOCQ-UHFFFAOYSA-N
XLogP4.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.70
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-3-[methyl-[(2-methylphenyl)methyl]amino]propan-1-ol
CID 62623300
4-[benzyl(methyl)amino]-1-(3-chlorophenyl)butan-1-ol
CID 91535520
1-(3-chlorophenyl)-3-[2,2-dimethylpropyl(methyl)amino]propan-1-ol
CID 55098610
1-(3-chlorophenyl)-3-[methyl(pentyl)amino]propan-1-ol
CID 55098657
3-[(3-chlorophenyl)methyl-methylamino]-1-(3-fluorophenyl)propan-1-ol
CID 62629130
N-[(2-bromophenyl)methyl]-1-(3-chlorophenyl)-N-methylethane-1,2-diamine
CID 61416664
1-(3-chlorophenyl)-3-[cyclopentylmethyl(methyl)amino]propan-1-ol
CID 63655492
3-[(4-chlorophenyl)methyl-methylamino]-1-phenylpropan-1-ol
CID 62611608
1-(3-chlorophenyl)-3-(N,3,5-trimethylanilino)propan-1-ol
CID 63487553
1-(3-bromophenyl)-3-[(4-bromophenyl)methyl-methylamino]propan-1-ol
CID 63489449
1-(3-chlorophenyl)-3-[methyl(oxan-4-ylmethyl)amino]propan-1-ol
CID 63713720
2-bromo-N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]benzamide
CID 100696524

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromophenyl)methyl-methylamino]-1-(3-chlorophenyl)propan-1-ol?
The IUPAC name of 3-[(2-bromophenyl)methyl-methylamino]-1-(3-chlorophenyl)propan-1-ol (CID 62624570) is 3-[(2-bromophenyl)methyl-methylamino]-1-(3-chlorophenyl)propan-1-ol.
What is the SMILES notation for 3-[(2-bromophenyl)methyl-methylamino]-1-(3-chlorophenyl)propan-1-ol?
The canonical SMILES for 3-[(2-bromophenyl)methyl-methylamino]-1-(3-chlorophenyl)propan-1-ol is CN(CCC(O)c1cccc(Cl)c1)Cc1ccccc1Br.
What is the InChIKey of 3-[(2-bromophenyl)methyl-methylamino]-1-(3-chlorophenyl)propan-1-ol?
The InChIKey is WFCMNMBWLPIOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrClNO/c1-20(12-14-5-2-3-8-16(14)18)10-9-17(21)13-6-4-7-15(19)11-13/h2-8,11,17,21H,9-10,12H2,1H3.
What are the key properties of 3-[(2-bromophenyl)methyl-methylamino]-1-(3-chlorophenyl)propan-1-ol?
3-[(2-bromophenyl)methyl-methylamino]-1-(3-chlorophenyl)propan-1-ol has a molecular weight of 368.70 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromophenyl)methyl-methylamino]-1-(3-chlorophenyl)propan-1-ol is sourced from PubChem (CID 62624570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).