3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-2-phenylpropan-1-amine

C18H22BrNO — CID 65016198

IUPAC3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-2-phenylpropan-1-amine
SMILESCOc1ccc(CN(C)CC(CBr)c2ccccc2)cc1
InChIInChI=1S/C18H22BrNO/c1-20(13-15-8-10-18(21-2)11-9-15)14-17(12-19)16-6-4-3-5-7-16/h3-11,17H,12-14H2,1-2H3
InChIKeyUXOPWOMHFWIDCG-UHFFFAOYSA-N
MW348.28 g/mol
LogP4.31
Rot. Bonds7

About 3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-2-phenylpropan-1-amine

3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-2-phenylpropan-1-amine (PubChem CID 65016198) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is 3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-2-phenylpropan-1-amine.

Molecular Properties

Compound Name3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-2-phenylpropan-1-amine
PubChem CID65016198
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC Name3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-2-phenylpropan-1-amine
SMILESCOc1ccc(CN(C)CC(CBr)c2ccccc2)cc1
InChIInChI=1S/C18H22BrNO/c1-20(13-15-8-10-18(21-2)11-9-15)14-17(12-19)16-6-4-3-5-7-16/h3-11,17H,12-14H2,1-2H3
InChIKeyUXOPWOMHFWIDCG-UHFFFAOYSA-N
XLogP4.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methoxyphenyl)methyl]-N-methyl-1-(4-phenylphenyl)methanamine
CID 134791729
1-[benzyl(methyl)amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 110877486
3-bromo-N-(2-ethoxyethyl)-N-methyl-2-phenylpropan-1-amine
CID 81062061
3-bromo-N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 61417517
1-methoxy-4-[(2R)-2-phenylpropyl]benzene
CID 69111235
3-bromo-N-(1-methoxypropan-2-yl)-N-methyl-2-phenylpropan-1-amine
CID 65015149
bromomethylbenzene;1-(bromomethyl)-4-methoxybenzene
CID 70390972
2-[(4-methoxyphenyl)methyl-methylamino]-2-phenylacetamide
CID 42895030
4-methoxy-1-N-[(4-methoxyphenyl)methyl]-1-N-methylbutane-1,2-diamine
CID 62475963
N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 122609914
[4-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]methanamine
CID 142934531
1-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylmethanamine
CID 22070460

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-2-phenylpropan-1-amine?
The IUPAC name of 3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-2-phenylpropan-1-amine (CID 65016198) is 3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-2-phenylpropan-1-amine.
What is the SMILES notation for 3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-2-phenylpropan-1-amine?
The canonical SMILES for 3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-2-phenylpropan-1-amine is COc1ccc(CN(C)CC(CBr)c2ccccc2)cc1.
What is the InChIKey of 3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-2-phenylpropan-1-amine?
The InChIKey is UXOPWOMHFWIDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO/c1-20(13-15-8-10-18(21-2)11-9-15)14-17(12-19)16-6-4-3-5-7-16/h3-11,17H,12-14H2,1-2H3.
What are the key properties of 3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-2-phenylpropan-1-amine?
3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-2-phenylpropan-1-amine has a molecular weight of 348.28 g/mol, XLogP of 4.31, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-2-phenylpropan-1-amine is sourced from PubChem (CID 65016198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).