(3-bromo-4-methoxyphenyl)-(2,4-dimethoxyphenyl)methanamine

C16H18BrNO3 — CID 43131080

IUPAC(3-bromo-4-methoxyphenyl)-(2,4-dimethoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2ccc(OC)c(Br)c2)c(OC)c1
InChIInChI=1S/C16H18BrNO3/c1-19-11-5-6-12(15(9-11)21-3)16(18)10-4-7-14(20-2)13(17)8-10/h4-9,16H,18H2,1-3H3
InChIKeyNFZLSMKZKISRLT-UHFFFAOYSA-N
MW352.23 g/mol
LogP3.52
Rot. Bonds5

About (3-bromo-4-methoxyphenyl)-(2,4-dimethoxyphenyl)methanamine

(3-bromo-4-methoxyphenyl)-(2,4-dimethoxyphenyl)methanamine (PubChem CID 43131080) has the molecular formula C16H18BrNO3 and a molecular weight of 352.23 g/mol. Its IUPAC name is (3-bromo-4-methoxyphenyl)-(2,4-dimethoxyphenyl)methanamine.

Molecular Properties

Compound Name(3-bromo-4-methoxyphenyl)-(2,4-dimethoxyphenyl)methanamine
PubChem CID43131080
Molecular FormulaC16H18BrNO3
Molecular Weight352.23 g/mol
Exact Mass351.05
IUPAC Name(3-bromo-4-methoxyphenyl)-(2,4-dimethoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2ccc(OC)c(Br)c2)c(OC)c1
InChIInChI=1S/C16H18BrNO3/c1-19-11-5-6-12(15(9-11)21-3)16(18)10-4-7-14(20-2)13(17)8-10/h4-9,16H,18H2,1-3H3
InChIKeyNFZLSMKZKISRLT-UHFFFAOYSA-N
XLogP3.52
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-bromo-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 61032943
(4-bromo-2,5-dimethoxyphenyl)-(4-methoxyphenyl)methanamine
CID 105056617
(3-bromo-4-methylphenyl)-(4-methoxy-2-methylphenyl)methanamine
CID 81472440
(3-chloro-4-iodophenyl)-(2,4-dimethoxyphenyl)methanamine
CID 103215224
(3-bromo-5-fluorophenyl)-(2,4-dimethoxyphenyl)methanamine
CID 43248329
(2-bromo-5-fluorophenyl)-(2,4-dimethoxyphenyl)methanamine
CID 43197258
(2,5-dimethoxyphenyl)-(4-methoxyphenyl)methanamine
CID 43197203
(3-bromothiophen-2-yl)-(2,4-dimethoxyphenyl)methanamine
CID 55240103
(2,4-dimethoxyphenyl)-[4-(2-methylpropyl)phenyl]methanamine
CID 43825039
(3-bromo-4-methoxyphenyl)-(5-chloro-2-fluorophenyl)methanamine
CID 43131063
(1R)-1-(3-bromo-4-methoxyphenyl)ethanamine
CID 7047696
bromo-(3-bromo-4-methoxyphenyl)methanamine
CID 116947586

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methoxyphenyl)-(2,4-dimethoxyphenyl)methanamine?
The IUPAC name of (3-bromo-4-methoxyphenyl)-(2,4-dimethoxyphenyl)methanamine (CID 43131080) is (3-bromo-4-methoxyphenyl)-(2,4-dimethoxyphenyl)methanamine.
What is the SMILES notation for (3-bromo-4-methoxyphenyl)-(2,4-dimethoxyphenyl)methanamine?
The canonical SMILES for (3-bromo-4-methoxyphenyl)-(2,4-dimethoxyphenyl)methanamine is COc1ccc(C(N)c2ccc(OC)c(Br)c2)c(OC)c1.
What is the InChIKey of (3-bromo-4-methoxyphenyl)-(2,4-dimethoxyphenyl)methanamine?
The InChIKey is NFZLSMKZKISRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO3/c1-19-11-5-6-12(15(9-11)21-3)16(18)10-4-7-14(20-2)13(17)8-10/h4-9,16H,18H2,1-3H3.
What are the key properties of (3-bromo-4-methoxyphenyl)-(2,4-dimethoxyphenyl)methanamine?
(3-bromo-4-methoxyphenyl)-(2,4-dimethoxyphenyl)methanamine has a molecular weight of 352.23 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methoxyphenyl)-(2,4-dimethoxyphenyl)methanamine is sourced from PubChem (CID 43131080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).