N-[(3-bromo-4,5-diethoxyphenyl)methyl]-1-(2-methoxyphenyl)methanamine;hydrochloride

C19H25BrClNO3 — CID 17208159

IUPACN-[(3-bromo-4,5-diethoxyphenyl)methyl]-1-(2-methoxyphenyl)methanamine;hydrochloride
SMILESCCOc1cc(CNCc2ccccc2OC)cc(Br)c1OCC.Cl
InChIInChI=1S/C19H24BrNO3.ClH/c1-4-23-18-11-14(10-16(20)19(18)24-5-2)12-21-13-15-8-6-7-9-17(15)22-3;/h6-11,21H,4-5,12-13H2,1-3H3;1H
InChIKeyVVBZHEQOCXPRRV-UHFFFAOYSA-N
MW430.77 g/mol
LogP4.97
Rot. Bonds9

About N-[(3-bromo-4,5-diethoxyphenyl)methyl]-1-(2-methoxyphenyl)methanamine;hydrochloride

N-[(3-bromo-4,5-diethoxyphenyl)methyl]-1-(2-methoxyphenyl)methanamine;hydrochloride (PubChem CID 17208159) has the molecular formula C19H25BrClNO3 and a molecular weight of 430.77 g/mol. Its IUPAC name is N-[(3-bromo-4,5-diethoxyphenyl)methyl]-1-(2-methoxyphenyl)methanamine;hydrochloride.

Molecular Properties

Compound NameN-[(3-bromo-4,5-diethoxyphenyl)methyl]-1-(2-methoxyphenyl)methanamine;hydrochloride
PubChem CID17208159
Molecular FormulaC19H25BrClNO3
Molecular Weight430.77 g/mol
Exact Mass429.07
IUPAC NameN-[(3-bromo-4,5-diethoxyphenyl)methyl]-1-(2-methoxyphenyl)methanamine;hydrochloride
SMILESCCOc1cc(CNCc2ccccc2OC)cc(Br)c1OCC.Cl
InChIInChI=1S/C19H24BrNO3.ClH/c1-4-23-18-11-14(10-16(20)19(18)24-5-2)12-21-13-15-8-6-7-9-17(15)22-3;/h6-11,21H,4-5,12-13H2,1-3H3;1H
InChIKeyVVBZHEQOCXPRRV-UHFFFAOYSA-N
XLogP4.97
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.77
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-bromo-5-ethoxy-4-methoxyphenyl)methyl]-2-(2-methoxyphenyl)ethanamine;hydrochloride
CID 17207346
N-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2-(2-methoxyphenyl)ethanamine;hydrochloride
CID 17207246
N-[(2-bromo-5-ethoxy-4-methoxyphenyl)methyl]-1-(2-methoxyphenyl)methanamine
CID 66534133
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-1-(2-bromophenyl)methanamine
CID 61402039
N-[(3-bromo-5-ethoxy-4-propoxyphenyl)methyl]-1-phenylmethanamine
CID 29226744
N-[(3-bromo-5-ethoxy-4-methoxyphenyl)methyl]-2-phenylethanamine;hydrochloride
CID 17292071
4-[[(3-bromo-4-ethoxy-5-methoxyphenyl)methylamino]methyl]benzoic acid;hydrochloride
CID 17295691
N-[(3-bromo-4,5-diethoxyphenyl)methyl]-4-phenylbutan-2-amine;hydrochloride
CID 17211266
N-[(5-chloro-2-ethoxy-3-methoxyphenyl)methyl]-1-(2-methoxyphenyl)methanamine;hydrochloride
CID 17208325
N-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]pentan-1-amine;hydrochloride
CID 17292240
N-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]prop-2-en-1-amine;hydrochloride
CID 17291767
1-(4-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanamine
CID 738542

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4,5-diethoxyphenyl)methyl]-1-(2-methoxyphenyl)methanamine;hydrochloride?
The IUPAC name of N-[(3-bromo-4,5-diethoxyphenyl)methyl]-1-(2-methoxyphenyl)methanamine;hydrochloride (CID 17208159) is N-[(3-bromo-4,5-diethoxyphenyl)methyl]-1-(2-methoxyphenyl)methanamine;hydrochloride.
What is the SMILES notation for N-[(3-bromo-4,5-diethoxyphenyl)methyl]-1-(2-methoxyphenyl)methanamine;hydrochloride?
The canonical SMILES for N-[(3-bromo-4,5-diethoxyphenyl)methyl]-1-(2-methoxyphenyl)methanamine;hydrochloride is CCOc1cc(CNCc2ccccc2OC)cc(Br)c1OCC.Cl.
What is the InChIKey of N-[(3-bromo-4,5-diethoxyphenyl)methyl]-1-(2-methoxyphenyl)methanamine;hydrochloride?
The InChIKey is VVBZHEQOCXPRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrNO3.ClH/c1-4-23-18-11-14(10-16(20)19(18)24-5-2)12-21-13-15-8-6-7-9-17(15)22-3;/h6-11,21H,4-5,12-13H2,1-3H3;1H.
What are the key properties of N-[(3-bromo-4,5-diethoxyphenyl)methyl]-1-(2-methoxyphenyl)methanamine;hydrochloride?
N-[(3-bromo-4,5-diethoxyphenyl)methyl]-1-(2-methoxyphenyl)methanamine;hydrochloride has a molecular weight of 430.77 g/mol, XLogP of 4.97, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4,5-diethoxyphenyl)methyl]-1-(2-methoxyphenyl)methanamine;hydrochloride is sourced from PubChem (CID 17208159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).