N-[(2-bromo-4,5-dimethoxyphenyl)-phenylmethyl]ethanamine

C17H20BrNO2 — CID 43491687

IUPACN-[(2-bromo-4,5-dimethoxyphenyl)-phenylmethyl]ethanamine
SMILESCCNC(c1ccccc1)c1cc(OC)c(OC)cc1Br
InChIInChI=1S/C17H20BrNO2/c1-4-19-17(12-8-6-5-7-9-12)13-10-15(20-2)16(21-3)11-14(13)18/h5-11,17,19H,4H2,1-3H3
InChIKeyZJYBVBXBCWZRDC-UHFFFAOYSA-N
MW350.26 g/mol
LogP4.17
Rot. Bonds6

About N-[(2-bromo-4,5-dimethoxyphenyl)-phenylmethyl]ethanamine

N-[(2-bromo-4,5-dimethoxyphenyl)-phenylmethyl]ethanamine (PubChem CID 43491687) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is N-[(2-bromo-4,5-dimethoxyphenyl)-phenylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(2-bromo-4,5-dimethoxyphenyl)-phenylmethyl]ethanamine
PubChem CID43491687
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC NameN-[(2-bromo-4,5-dimethoxyphenyl)-phenylmethyl]ethanamine
SMILESCCNC(c1ccccc1)c1cc(OC)c(OC)cc1Br
InChIInChI=1S/C17H20BrNO2/c1-4-19-17(12-8-6-5-7-9-12)13-10-15(20-2)16(21-3)11-14(13)18/h5-11,17,19H,4H2,1-3H3
InChIKeyZJYBVBXBCWZRDC-UHFFFAOYSA-N
XLogP4.17
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methoxyphenyl)-phenylmethyl]ethanamine
CID 43489120
N-[(4-bromophenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 43488692
N-[(2-bromo-4,5-dimethoxyphenyl)-(5-methylthiophen-2-yl)methyl]ethanamine
CID 43491679
N-[(2,6-dimethoxyphenyl)-phenylmethyl]ethanamine
CID 43489150
N-[(3-bromo-4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 79747190
N-[(3-methoxy-4-methylphenyl)-phenylmethyl]ethanamine
CID 43489086
N-[(2-bromo-5-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 105093219
N-[(4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 43488877
N-[(2-bromo-4-chlorophenyl)-(3-chloro-4-methoxyphenyl)methyl]ethanamine
CID 107987395
N-[(5-bromo-2-chlorophenyl)-phenylmethyl]ethanamine
CID 43489055
N-[(2-bromo-4-methoxyphenyl)-(4-methylphenyl)methyl]ethanamine
CID 60787122
N-benzhydrylethanamine;ethane
CID 142974710

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4,5-dimethoxyphenyl)-phenylmethyl]ethanamine?
The IUPAC name of N-[(2-bromo-4,5-dimethoxyphenyl)-phenylmethyl]ethanamine (CID 43491687) is N-[(2-bromo-4,5-dimethoxyphenyl)-phenylmethyl]ethanamine.
What is the SMILES notation for N-[(2-bromo-4,5-dimethoxyphenyl)-phenylmethyl]ethanamine?
The canonical SMILES for N-[(2-bromo-4,5-dimethoxyphenyl)-phenylmethyl]ethanamine is CCNC(c1ccccc1)c1cc(OC)c(OC)cc1Br.
What is the InChIKey of N-[(2-bromo-4,5-dimethoxyphenyl)-phenylmethyl]ethanamine?
The InChIKey is ZJYBVBXBCWZRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2/c1-4-19-17(12-8-6-5-7-9-12)13-10-15(20-2)16(21-3)11-14(13)18/h5-11,17,19H,4H2,1-3H3.
What are the key properties of N-[(2-bromo-4,5-dimethoxyphenyl)-phenylmethyl]ethanamine?
N-[(2-bromo-4,5-dimethoxyphenyl)-phenylmethyl]ethanamine has a molecular weight of 350.26 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4,5-dimethoxyphenyl)-phenylmethyl]ethanamine is sourced from PubChem (CID 43491687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).