1-(3-bromophenyl)-3-[methyl(2-phenylethyl)amino]propan-1-ol

C18H22BrNO — CID 65486726

IUPAC1-(3-bromophenyl)-3-[methyl(2-phenylethyl)amino]propan-1-ol
SMILESCN(CCc1ccccc1)CCC(O)c1cccc(Br)c1
InChIInChI=1S/C18H22BrNO/c1-20(12-10-15-6-3-2-4-7-15)13-11-18(21)16-8-5-9-17(19)14-16/h2-9,14,18,21H,10-13H2,1H3
InChIKeyGPWCDHXOGHWFKM-UHFFFAOYSA-N
MW348.28 g/mol
LogP4.05
Rot. Bonds7

About 1-(3-bromophenyl)-3-[methyl(2-phenylethyl)amino]propan-1-ol

1-(3-bromophenyl)-3-[methyl(2-phenylethyl)amino]propan-1-ol (PubChem CID 65486726) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-[methyl(2-phenylethyl)amino]propan-1-ol.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-[methyl(2-phenylethyl)amino]propan-1-ol
PubChem CID65486726
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC Name1-(3-bromophenyl)-3-[methyl(2-phenylethyl)amino]propan-1-ol
SMILESCN(CCc1ccccc1)CCC(O)c1cccc(Br)c1
InChIInChI=1S/C18H22BrNO/c1-20(12-10-15-6-3-2-4-7-15)13-11-18(21)16-8-5-9-17(19)14-16/h2-9,14,18,21H,10-13H2,1H3
InChIKeyGPWCDHXOGHWFKM-UHFFFAOYSA-N
XLogP4.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-N'-methyl-N'-(2-phenylethyl)propane-1,3-diamine
CID 65487295
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1-(3-bromophenyl)-3-[methyl(3-methylsulfanylpropyl)amino]propan-1-ol
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1-(3-bromophenyl)-3-[methyl(2-propan-2-yloxyethyl)amino]propan-1-ol
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CID 62618495
1-(3-bromophenyl)-3-[methyl(pentan-2-yl)amino]propan-1-ol
CID 55099187
1-(3-bromophenyl)butan-1-ol
CID 18417756
1-(3-bromophenyl)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-1-ol
CID 63234218
1-(3-bromophenyl)-4-methylpentan-1-ol
CID 62608745
3-[2-(dimethylamino)ethyl-methylamino]-1-phenylpropan-1-ol
CID 63700698
1-(3-bromophenyl)-N'-[2-(3-bromophenyl)ethyl]-N'-methylethane-1,2-diamine
CID 174586130
3-[bis(2-methoxyethyl)amino]-1-(3-bromophenyl)propan-1-ol
CID 62618326

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-[methyl(2-phenylethyl)amino]propan-1-ol?
The IUPAC name of 1-(3-bromophenyl)-3-[methyl(2-phenylethyl)amino]propan-1-ol (CID 65486726) is 1-(3-bromophenyl)-3-[methyl(2-phenylethyl)amino]propan-1-ol.
What is the SMILES notation for 1-(3-bromophenyl)-3-[methyl(2-phenylethyl)amino]propan-1-ol?
The canonical SMILES for 1-(3-bromophenyl)-3-[methyl(2-phenylethyl)amino]propan-1-ol is CN(CCc1ccccc1)CCC(O)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-3-[methyl(2-phenylethyl)amino]propan-1-ol?
The InChIKey is GPWCDHXOGHWFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO/c1-20(12-10-15-6-3-2-4-7-15)13-11-18(21)16-8-5-9-17(19)14-16/h2-9,14,18,21H,10-13H2,1H3.
What are the key properties of 1-(3-bromophenyl)-3-[methyl(2-phenylethyl)amino]propan-1-ol?
1-(3-bromophenyl)-3-[methyl(2-phenylethyl)amino]propan-1-ol has a molecular weight of 348.28 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-[methyl(2-phenylethyl)amino]propan-1-ol is sourced from PubChem (CID 65486726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).