1-(4-bromo-2-methoxyphenyl)-N-methyl-4-phenylbutan-1-amine

C18H22BrNO — CID 115849428

IUPAC1-(4-bromo-2-methoxyphenyl)-N-methyl-4-phenylbutan-1-amine
SMILESCNC(CCCc1ccccc1)c1ccc(Br)cc1OC
InChIInChI=1S/C18H22BrNO/c1-20-17(10-6-9-14-7-4-3-5-8-14)16-12-11-15(19)13-18(16)21-2/h3-5,7-8,11-13,17,20H,6,9-10H2,1-2H3
InChIKeyBCQDUOSXWQGWBS-UHFFFAOYSA-N
MW348.28 g/mol
LogP4.74
Rot. Bonds7

About 1-(4-bromo-2-methoxyphenyl)-N-methyl-4-phenylbutan-1-amine

1-(4-bromo-2-methoxyphenyl)-N-methyl-4-phenylbutan-1-amine (PubChem CID 115849428) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is 1-(4-bromo-2-methoxyphenyl)-N-methyl-4-phenylbutan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-2-methoxyphenyl)-N-methyl-4-phenylbutan-1-amine
PubChem CID115849428
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC Name1-(4-bromo-2-methoxyphenyl)-N-methyl-4-phenylbutan-1-amine
SMILESCNC(CCCc1ccccc1)c1ccc(Br)cc1OC
InChIInChI=1S/C18H22BrNO/c1-20-17(10-6-9-14-7-4-3-5-8-14)16-12-11-15(19)13-18(16)21-2/h3-5,7-8,11-13,17,20H,6,9-10H2,1-2H3
InChIKeyBCQDUOSXWQGWBS-UHFFFAOYSA-N
XLogP4.74
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 ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-methoxyphenyl)-4-phenylbutan-1-ol
CID 115791105
1-(2,4-dimethoxyphenyl)-N-methyl-3-phenylpropan-1-amine
CID 43483666
1-(4-bromo-2-methoxyphenyl)-3-phenylpropan-1-amine
CID 115794460
1-(4-bromo-2-methoxyphenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 115369429
1-(4-bromo-2-methoxyphenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 105412591
1-(4-bromo-2-methoxyphenyl)-2-(4-fluorophenyl)-N-methylethanamine
CID 115369427
1-(4-bromo-2-methoxyphenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 105049845
1-(4-bromo-2-methoxyphenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine
CID 104993158
1-(3-methoxyphenyl)-N-methyl-4-phenylbutan-1-amine
CID 62606227
1-(3-bromo-2-methylphenyl)-N-methyl-4-phenylbutan-1-amine
CID 115849363
1-(2-methoxy-3-pyridinyl)-N-methyl-4-phenylbutan-1-amine
CID 105139852
1-(4-bromo-2-methoxyphenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine
CID 115830255

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methoxyphenyl)-N-methyl-4-phenylbutan-1-amine?
The IUPAC name of 1-(4-bromo-2-methoxyphenyl)-N-methyl-4-phenylbutan-1-amine (CID 115849428) is 1-(4-bromo-2-methoxyphenyl)-N-methyl-4-phenylbutan-1-amine.
What is the SMILES notation for 1-(4-bromo-2-methoxyphenyl)-N-methyl-4-phenylbutan-1-amine?
The canonical SMILES for 1-(4-bromo-2-methoxyphenyl)-N-methyl-4-phenylbutan-1-amine is CNC(CCCc1ccccc1)c1ccc(Br)cc1OC.
What is the InChIKey of 1-(4-bromo-2-methoxyphenyl)-N-methyl-4-phenylbutan-1-amine?
The InChIKey is BCQDUOSXWQGWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO/c1-20-17(10-6-9-14-7-4-3-5-8-14)16-12-11-15(19)13-18(16)21-2/h3-5,7-8,11-13,17,20H,6,9-10H2,1-2H3.
What are the key properties of 1-(4-bromo-2-methoxyphenyl)-N-methyl-4-phenylbutan-1-amine?
1-(4-bromo-2-methoxyphenyl)-N-methyl-4-phenylbutan-1-amine has a molecular weight of 348.28 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methoxyphenyl)-N-methyl-4-phenylbutan-1-amine is sourced from PubChem (CID 115849428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).