(3-bromo-4-methoxyphenyl)-[3-(2-methylpropyl)phenyl]methanamine

C18H22BrNO — CID 105050773

IUPAC(3-bromo-4-methoxyphenyl)-[3-(2-methylpropyl)phenyl]methanamine
SMILESCOc1ccc(C(N)c2cccc(CC(C)C)c2)cc1Br
InChIInChI=1S/C18H22BrNO/c1-12(2)9-13-5-4-6-14(10-13)18(20)15-7-8-17(21-3)16(19)11-15/h4-8,10-12,18H,9,20H2,1-3H3
InChIKeyLGWOPIZTBAUYTO-UHFFFAOYSA-N
MW348.28 g/mol
LogP4.70
Rot. Bonds5

About (3-bromo-4-methoxyphenyl)-[3-(2-methylpropyl)phenyl]methanamine

(3-bromo-4-methoxyphenyl)-[3-(2-methylpropyl)phenyl]methanamine (PubChem CID 105050773) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is (3-bromo-4-methoxyphenyl)-[3-(2-methylpropyl)phenyl]methanamine.

Molecular Properties

Compound Name(3-bromo-4-methoxyphenyl)-[3-(2-methylpropyl)phenyl]methanamine
PubChem CID105050773
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC Name(3-bromo-4-methoxyphenyl)-[3-(2-methylpropyl)phenyl]methanamine
SMILESCOc1ccc(C(N)c2cccc(CC(C)C)c2)cc1Br
InChIInChI=1S/C18H22BrNO/c1-12(2)9-13-5-4-6-14(10-13)18(20)15-7-8-17(21-3)16(19)11-15/h4-8,10-12,18H,9,20H2,1-3H3
InChIKeyLGWOPIZTBAUYTO-UHFFFAOYSA-N
XLogP4.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methoxyphenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116543817
(4-bromophenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116543839
2-bromo-1-methoxy-4-(2-methylpropyl)benzene
CID 115044915
(3-bromo-4-methoxyphenyl)-(3-chlorophenyl)methanamine
CID 43131111
(4-bromo-3,5-dimethylphenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 114330154
(3,4-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116543886
(1R)-1-(3-bromo-4-methoxyphenyl)ethanamine
CID 7047696
(2,4-dibromophenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 107946916
1-(3-bromo-4-methoxyphenyl)-3-methylbutan-1-amine
CID 43131096
(3-bromo-4-methoxyphenyl)-(3,4-diethylphenyl)methanamine
CID 115482034
(4-chloro-3-methylphenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 105050742
(1S)-1-(3-bromo-4-methoxyphenyl)-2-methoxyethanamine
CID 95466503

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methoxyphenyl)-[3-(2-methylpropyl)phenyl]methanamine?
The IUPAC name of (3-bromo-4-methoxyphenyl)-[3-(2-methylpropyl)phenyl]methanamine (CID 105050773) is (3-bromo-4-methoxyphenyl)-[3-(2-methylpropyl)phenyl]methanamine.
What is the SMILES notation for (3-bromo-4-methoxyphenyl)-[3-(2-methylpropyl)phenyl]methanamine?
The canonical SMILES for (3-bromo-4-methoxyphenyl)-[3-(2-methylpropyl)phenyl]methanamine is COc1ccc(C(N)c2cccc(CC(C)C)c2)cc1Br.
What is the InChIKey of (3-bromo-4-methoxyphenyl)-[3-(2-methylpropyl)phenyl]methanamine?
The InChIKey is LGWOPIZTBAUYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO/c1-12(2)9-13-5-4-6-14(10-13)18(20)15-7-8-17(21-3)16(19)11-15/h4-8,10-12,18H,9,20H2,1-3H3.
What are the key properties of (3-bromo-4-methoxyphenyl)-[3-(2-methylpropyl)phenyl]methanamine?
(3-bromo-4-methoxyphenyl)-[3-(2-methylpropyl)phenyl]methanamine has a molecular weight of 348.28 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methoxyphenyl)-[3-(2-methylpropyl)phenyl]methanamine is sourced from PubChem (CID 105050773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).