(3-bromo-4-propoxyphenyl)-(3-methylphenyl)methanamine

C17H20BrNO — CID 104657901

IUPAC(3-bromo-4-propoxyphenyl)-(3-methylphenyl)methanamine
SMILESCCCOc1ccc(C(N)c2cccc(C)c2)cc1Br
InChIInChI=1S/C17H20BrNO/c1-3-9-20-16-8-7-14(11-15(16)18)17(19)13-6-4-5-12(2)10-13/h4-8,10-11,17H,3,9,19H2,1-2H3
InChIKeySMZJLGMCQYLPKD-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.59
Rot. Bonds5

About (3-bromo-4-propoxyphenyl)-(3-methylphenyl)methanamine

(3-bromo-4-propoxyphenyl)-(3-methylphenyl)methanamine (PubChem CID 104657901) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is (3-bromo-4-propoxyphenyl)-(3-methylphenyl)methanamine.

Molecular Properties

Compound Name(3-bromo-4-propoxyphenyl)-(3-methylphenyl)methanamine
PubChem CID104657901
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name(3-bromo-4-propoxyphenyl)-(3-methylphenyl)methanamine
SMILESCCCOc1ccc(C(N)c2cccc(C)c2)cc1Br
InChIInChI=1S/C17H20BrNO/c1-3-9-20-16-8-7-14(11-15(16)18)17(19)13-6-4-5-12(2)10-13/h4-8,10-11,17H,3,9,19H2,1-2H3
InChIKeySMZJLGMCQYLPKD-UHFFFAOYSA-N
XLogP4.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-4-propoxyphenyl)-(4-iodophenyl)methanamine
CID 104657896
(3-bromo-4-propoxyphenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 104657808
(3-bromo-4-propoxyphenyl)-(3-chloro-4-iodophenyl)methanamine
CID 103220581
2-bromo-4-methyl-1-propoxybenzene
CID 21057754
(3-bromo-4-propoxyphenyl)-(2,4-dibromophenyl)methanamine
CID 107950919
(5-bromo-2-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanamine
CID 104657790
1-(3-bromo-4-propoxyphenyl)-3-methylbutan-1-amine
CID 113438084
1-(3-bromo-4-propoxyphenyl)-3,3-dimethylbutan-1-amine
CID 113438088
1-(3-bromo-4-propoxyphenyl)-2,2,3,3,3-pentafluoropropan-1-amine
CID 104657853
2-bromo-1-[(3-bromo-4-propoxyphenyl)-chloromethyl]-3-methylbenzene
CID 107983638
2-bromo-4-[bromo-(4-chloro-3-methylphenyl)methyl]-1-propoxybenzene
CID 104662090
1-bromo-4-[(3-bromo-4-propoxyphenyl)-chloromethyl]-2-methylbenzene
CID 104661898

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-propoxyphenyl)-(3-methylphenyl)methanamine?
The IUPAC name of (3-bromo-4-propoxyphenyl)-(3-methylphenyl)methanamine (CID 104657901) is (3-bromo-4-propoxyphenyl)-(3-methylphenyl)methanamine.
What is the SMILES notation for (3-bromo-4-propoxyphenyl)-(3-methylphenyl)methanamine?
The canonical SMILES for (3-bromo-4-propoxyphenyl)-(3-methylphenyl)methanamine is CCCOc1ccc(C(N)c2cccc(C)c2)cc1Br.
What is the InChIKey of (3-bromo-4-propoxyphenyl)-(3-methylphenyl)methanamine?
The InChIKey is SMZJLGMCQYLPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-3-9-20-16-8-7-14(11-15(16)18)17(19)13-6-4-5-12(2)10-13/h4-8,10-11,17H,3,9,19H2,1-2H3.
What are the key properties of (3-bromo-4-propoxyphenyl)-(3-methylphenyl)methanamine?
(3-bromo-4-propoxyphenyl)-(3-methylphenyl)methanamine has a molecular weight of 334.26 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-propoxyphenyl)-(3-methylphenyl)methanamine is sourced from PubChem (CID 104657901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).