N-[(3-bromo-5-ethoxy-4-propoxyphenyl)methyl]-1-phenylmethanamine

C19H24BrNO2 — CID 29226744

IUPACN-[(3-bromo-5-ethoxy-4-propoxyphenyl)methyl]-1-phenylmethanamine
SMILESCCCOc1c(Br)cc(CNCc2ccccc2)cc1OCC
InChIInChI=1S/C19H24BrNO2/c1-3-10-23-19-17(20)11-16(12-18(19)22-4-2)14-21-13-15-8-6-5-7-9-15/h5-9,11-12,21H,3-4,10,13-14H2,1-2H3
InChIKeyMMDRFPZFTXFODI-UHFFFAOYSA-N
MW378.31 g/mol
LogP4.93
Rot. Bonds9

About N-[(3-bromo-5-ethoxy-4-propoxyphenyl)methyl]-1-phenylmethanamine

N-[(3-bromo-5-ethoxy-4-propoxyphenyl)methyl]-1-phenylmethanamine (PubChem CID 29226744) has the molecular formula C19H24BrNO2 and a molecular weight of 378.31 g/mol. Its IUPAC name is N-[(3-bromo-5-ethoxy-4-propoxyphenyl)methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(3-bromo-5-ethoxy-4-propoxyphenyl)methyl]-1-phenylmethanamine
PubChem CID29226744
Molecular FormulaC19H24BrNO2
Molecular Weight378.31 g/mol
Exact Mass377.10
IUPAC NameN-[(3-bromo-5-ethoxy-4-propoxyphenyl)methyl]-1-phenylmethanamine
SMILESCCCOc1c(Br)cc(CNCc2ccccc2)cc1OCC
InChIInChI=1S/C19H24BrNO2/c1-3-10-23-19-17(20)11-16(12-18(19)22-4-2)14-21-13-15-8-6-5-7-9-15/h5-9,11-12,21H,3-4,10,13-14H2,1-2H3
InChIKeyMMDRFPZFTXFODI-UHFFFAOYSA-N
XLogP4.93
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.31
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromo-5-ethoxy-4-propoxyphenyl)methyl]butan-1-amine
CID 2217249
1-(3-bromo-5-ethoxy-4-propoxyphenyl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine
CID 166366000
N-[(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 17292852
N-[(3-bromo-5-methoxy-4-propoxyphenyl)methyl]-1-(4-methylphenyl)methanamine
CID 29227314
N-[(3-bromo-5-ethoxy-4-propoxyphenyl)methyl]-4-ethylaniline
CID 126120288
N-[(3-bromo-5-ethoxy-4-propoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine
CID 29227055
N-[(3-bromo-5-ethoxy-4-methoxyphenyl)methyl]-2-phenylethanamine;hydrochloride
CID 17292071
N-[(3-bromo-4,5-diethoxyphenyl)methyl]-1-(2-methoxyphenyl)methanamine;hydrochloride
CID 17208159
N-[(3-bromo-5-methoxy-4-propoxyphenyl)methyl]ethanamine
CID 29227219
N-[(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride
CID 17295891
N-[(3-bromo-4,5-diethoxyphenyl)methyl]-4-phenylbutan-2-amine;hydrochloride
CID 17211266
2-[2-bromo-6-ethoxy-4-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine
CID 43626932

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-5-ethoxy-4-propoxyphenyl)methyl]-1-phenylmethanamine?
The IUPAC name of N-[(3-bromo-5-ethoxy-4-propoxyphenyl)methyl]-1-phenylmethanamine (CID 29226744) is N-[(3-bromo-5-ethoxy-4-propoxyphenyl)methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[(3-bromo-5-ethoxy-4-propoxyphenyl)methyl]-1-phenylmethanamine?
The canonical SMILES for N-[(3-bromo-5-ethoxy-4-propoxyphenyl)methyl]-1-phenylmethanamine is CCCOc1c(Br)cc(CNCc2ccccc2)cc1OCC.
What is the InChIKey of N-[(3-bromo-5-ethoxy-4-propoxyphenyl)methyl]-1-phenylmethanamine?
The InChIKey is MMDRFPZFTXFODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrNO2/c1-3-10-23-19-17(20)11-16(12-18(19)22-4-2)14-21-13-15-8-6-5-7-9-15/h5-9,11-12,21H,3-4,10,13-14H2,1-2H3.
What are the key properties of N-[(3-bromo-5-ethoxy-4-propoxyphenyl)methyl]-1-phenylmethanamine?
N-[(3-bromo-5-ethoxy-4-propoxyphenyl)methyl]-1-phenylmethanamine has a molecular weight of 378.31 g/mol, XLogP of 4.93, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-5-ethoxy-4-propoxyphenyl)methyl]-1-phenylmethanamine is sourced from PubChem (CID 29226744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).