2-[(2-bromo-5-methoxyphenyl)methyl]-2-phenylbutan-1-amine

C18H22BrNO — CID 65327261

IUPAC2-[(2-bromo-5-methoxyphenyl)methyl]-2-phenylbutan-1-amine
SMILESCCC(CN)(Cc1cc(OC)ccc1Br)c1ccccc1
InChIInChI=1S/C18H22BrNO/c1-3-18(13-20,15-7-5-4-6-8-15)12-14-11-16(21-2)9-10-17(14)19/h4-11H,3,12-13,20H2,1-2H3
InChIKeyPIPMXSPAZHDAFQ-UHFFFAOYSA-N
MW348.28 g/mol
LogP4.31
Rot. Bonds6

About 2-[(2-bromo-5-methoxyphenyl)methyl]-2-phenylbutan-1-amine

2-[(2-bromo-5-methoxyphenyl)methyl]-2-phenylbutan-1-amine (PubChem CID 65327261) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is 2-[(2-bromo-5-methoxyphenyl)methyl]-2-phenylbutan-1-amine.

Molecular Properties

Compound Name2-[(2-bromo-5-methoxyphenyl)methyl]-2-phenylbutan-1-amine
PubChem CID65327261
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC Name2-[(2-bromo-5-methoxyphenyl)methyl]-2-phenylbutan-1-amine
SMILESCCC(CN)(Cc1cc(OC)ccc1Br)c1ccccc1
InChIInChI=1S/C18H22BrNO/c1-3-18(13-20,15-7-5-4-6-8-15)12-14-11-16(21-2)9-10-17(14)19/h4-11H,3,12-13,20H2,1-2H3
InChIKeyPIPMXSPAZHDAFQ-UHFFFAOYSA-N
XLogP4.31
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-bromo-5-methoxyphenyl)methyl]-2-methylbutanoic acid
CID 65322994
3-[(2-bromo-5-methoxyphenyl)methyl]pentan-3-ol
CID 65327602
2-[(2-bromo-5-methoxyphenyl)methyl]-2-ethylbutan-1-ol
CID 66060635
2-[(2-bromo-5-methoxyphenyl)methyl]-2-methylbutan-1-ol
CID 66057917
3-[(2-bromo-5-methoxyphenyl)methyl]heptan-3-amine
CID 65330931
3-(2-bromo-5-methoxyphenyl)-2,2-dimethylpropanenitrile
CID 65379304
2-(2-bromo-5-methoxyphenyl)ethanamine
CID 46831332
2-[(2-bromo-5-methoxyphenyl)methyl]-3-(2-bromophenyl)propan-1-amine
CID 65326574
1-(2-bromo-5-methoxyphenyl)-2-(4-ethylphenyl)propan-2-amine
CID 65327325
1-(2-bromo-5-methoxyphenyl)-2-(3-bromophenyl)propan-2-ol
CID 65327501
1-(2-bromo-5-methoxyphenyl)-3-methyl-3-phenylbutan-2-ol
CID 65325300
1-(2-bromo-5-methoxyphenyl)-3-methoxy-2,3-dimethylbutan-2-ol
CID 114228340

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-5-methoxyphenyl)methyl]-2-phenylbutan-1-amine?
The IUPAC name of 2-[(2-bromo-5-methoxyphenyl)methyl]-2-phenylbutan-1-amine (CID 65327261) is 2-[(2-bromo-5-methoxyphenyl)methyl]-2-phenylbutan-1-amine.
What is the SMILES notation for 2-[(2-bromo-5-methoxyphenyl)methyl]-2-phenylbutan-1-amine?
The canonical SMILES for 2-[(2-bromo-5-methoxyphenyl)methyl]-2-phenylbutan-1-amine is CCC(CN)(Cc1cc(OC)ccc1Br)c1ccccc1.
What is the InChIKey of 2-[(2-bromo-5-methoxyphenyl)methyl]-2-phenylbutan-1-amine?
The InChIKey is PIPMXSPAZHDAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO/c1-3-18(13-20,15-7-5-4-6-8-15)12-14-11-16(21-2)9-10-17(14)19/h4-11H,3,12-13,20H2,1-2H3.
What are the key properties of 2-[(2-bromo-5-methoxyphenyl)methyl]-2-phenylbutan-1-amine?
2-[(2-bromo-5-methoxyphenyl)methyl]-2-phenylbutan-1-amine has a molecular weight of 348.28 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-5-methoxyphenyl)methyl]-2-phenylbutan-1-amine is sourced from PubChem (CID 65327261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).