2-[(3-bromophenyl)methyl]-3-(4-methoxyphenyl)-N-methylpropan-1-amine

C18H22BrNO — CID 62515402

IUPAC2-[(3-bromophenyl)methyl]-3-(4-methoxyphenyl)-N-methylpropan-1-amine
SMILESCNCC(Cc1ccc(OC)cc1)Cc1cccc(Br)c1
InChIInChI=1S/C18H22BrNO/c1-20-13-16(11-15-4-3-5-17(19)12-15)10-14-6-8-18(21-2)9-7-14/h3-9,12,16,20H,10-11,13H2,1-2H3
InChIKeyZGNJMFIWRVLKRG-UHFFFAOYSA-N
MW348.28 g/mol
LogP4.08
Rot. Bonds7

About 2-[(3-bromophenyl)methyl]-3-(4-methoxyphenyl)-N-methylpropan-1-amine

2-[(3-bromophenyl)methyl]-3-(4-methoxyphenyl)-N-methylpropan-1-amine (PubChem CID 62515402) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methyl]-3-(4-methoxyphenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-[(3-bromophenyl)methyl]-3-(4-methoxyphenyl)-N-methylpropan-1-amine
PubChem CID62515402
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC Name2-[(3-bromophenyl)methyl]-3-(4-methoxyphenyl)-N-methylpropan-1-amine
SMILESCNCC(Cc1ccc(OC)cc1)Cc1cccc(Br)c1
InChIInChI=1S/C18H22BrNO/c1-20-13-16(11-15-4-3-5-17(19)12-15)10-14-6-8-18(21-2)9-7-14/h3-9,12,16,20H,10-11,13H2,1-2H3
InChIKeyZGNJMFIWRVLKRG-UHFFFAOYSA-N
XLogP4.08
TPSA21.26 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 ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-bromophenyl)methyl]-3-(4-chlorophenyl)-N-methylpropan-1-amine
CID 63522603
2-[(3-bromophenyl)methyl]-3-(3,4-difluorophenyl)-N-methylpropan-1-amine
CID 82925875
1-(3-bromophenyl)-N-ethyl-3-(4-methoxyphenyl)propan-2-amine
CID 61372893
2-[(3-bromophenyl)methyl]-3-(4-chloro-3-fluorophenyl)-N-methylpropan-1-amine
CID 107897206
2-[(4-bromophenyl)methyl]-3-(3-chlorophenyl)-N-methylpropan-1-amine
CID 63522254
2-[(3-bromophenyl)methyl]-3-(5-bromothiophen-2-yl)-N-methylpropan-1-amine
CID 63522640
1-(3-bromophenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 61064465
2-(3-bromophenyl)-1-(4-methoxyphenyl)ethanamine
CID 60798720
2-[(4-methoxyphenyl)methyl]-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 62514535
2-[(3-bromophenyl)methyl]-N-methyloctan-1-amine
CID 63522281
2-[(3-bromophenyl)methyl]-3-(5-chloro-2-fluorophenyl)-N-methylpropan-1-amine
CID 103049659
2-[(3-bromophenyl)methyl]-3-(2,5-difluorophenyl)-N-methylpropan-1-amine
CID 62516635

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methyl]-3-(4-methoxyphenyl)-N-methylpropan-1-amine?
The IUPAC name of 2-[(3-bromophenyl)methyl]-3-(4-methoxyphenyl)-N-methylpropan-1-amine (CID 62515402) is 2-[(3-bromophenyl)methyl]-3-(4-methoxyphenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 2-[(3-bromophenyl)methyl]-3-(4-methoxyphenyl)-N-methylpropan-1-amine?
The canonical SMILES for 2-[(3-bromophenyl)methyl]-3-(4-methoxyphenyl)-N-methylpropan-1-amine is CNCC(Cc1ccc(OC)cc1)Cc1cccc(Br)c1.
What is the InChIKey of 2-[(3-bromophenyl)methyl]-3-(4-methoxyphenyl)-N-methylpropan-1-amine?
The InChIKey is ZGNJMFIWRVLKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO/c1-20-13-16(11-15-4-3-5-17(19)12-15)10-14-6-8-18(21-2)9-7-14/h3-9,12,16,20H,10-11,13H2,1-2H3.
What are the key properties of 2-[(3-bromophenyl)methyl]-3-(4-methoxyphenyl)-N-methylpropan-1-amine?
2-[(3-bromophenyl)methyl]-3-(4-methoxyphenyl)-N-methylpropan-1-amine has a molecular weight of 348.28 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methyl]-3-(4-methoxyphenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 62515402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).