N-[(4-bromo-3-methylphenyl)methyl]-1-(3-ethoxyphenyl)methanamine

C17H20BrNO — CID 66474852

IUPACN-[(4-bromo-3-methylphenyl)methyl]-1-(3-ethoxyphenyl)methanamine
SMILESCCOc1cccc(CNCc2ccc(Br)c(C)c2)c1
InChIInChI=1S/C17H20BrNO/c1-3-20-16-6-4-5-14(10-16)11-19-12-15-7-8-17(18)13(2)9-15/h4-10,19H,3,11-12H2,1-2H3
InChIKeyMDYSNIGEQIMECN-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.45
Rot. Bonds6

About N-[(4-bromo-3-methylphenyl)methyl]-1-(3-ethoxyphenyl)methanamine

N-[(4-bromo-3-methylphenyl)methyl]-1-(3-ethoxyphenyl)methanamine (PubChem CID 66474852) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is N-[(4-bromo-3-methylphenyl)methyl]-1-(3-ethoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(4-bromo-3-methylphenyl)methyl]-1-(3-ethoxyphenyl)methanamine
PubChem CID66474852
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC NameN-[(4-bromo-3-methylphenyl)methyl]-1-(3-ethoxyphenyl)methanamine
SMILESCCOc1cccc(CNCc2ccc(Br)c(C)c2)c1
InChIInChI=1S/C17H20BrNO/c1-3-20-16-6-4-5-14(10-16)11-19-12-15-7-8-17(18)13(2)9-15/h4-10,19H,3,11-12H2,1-2H3
InChIKeyMDYSNIGEQIMECN-UHFFFAOYSA-N
XLogP4.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethoxyphenyl)-N-[(3-ethoxyphenyl)methyl]methanamine
CID 60776460
4-[[(3-ethoxyphenyl)methylamino]methyl]phenol
CID 60777598
N-[(4-bromo-3-methylphenyl)methyl]-1-(3-chlorophenyl)methanamine
CID 66472041
N-[(3-ethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine
CID 2227150
1-(3-ethoxyphenyl)-N-(pyrimidin-5-ylmethyl)methanamine
CID 62760835
N-[(3-ethoxyphenyl)methyl]-2,4,6-trimethylaniline
CID 39368420
N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-ethoxyphenyl)methanamine
CID 60615873
1-(3-ethoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 60776548
N-[[3-[(4-bromo-3-methylphenoxy)methyl]phenyl]methyl]propan-1-amine
CID 83138173
N-[(3-ethoxyphenyl)methyl]prop-2-yn-1-amine
CID 60873507
1-(3-ethoxyphenyl)-N-(1H-pyrrol-3-ylmethyl)methanamine
CID 66408093
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(3-ethoxyphenyl)methanamine
CID 18437826

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-methylphenyl)methyl]-1-(3-ethoxyphenyl)methanamine?
The IUPAC name of N-[(4-bromo-3-methylphenyl)methyl]-1-(3-ethoxyphenyl)methanamine (CID 66474852) is N-[(4-bromo-3-methylphenyl)methyl]-1-(3-ethoxyphenyl)methanamine.
What is the SMILES notation for N-[(4-bromo-3-methylphenyl)methyl]-1-(3-ethoxyphenyl)methanamine?
The canonical SMILES for N-[(4-bromo-3-methylphenyl)methyl]-1-(3-ethoxyphenyl)methanamine is CCOc1cccc(CNCc2ccc(Br)c(C)c2)c1.
What is the InChIKey of N-[(4-bromo-3-methylphenyl)methyl]-1-(3-ethoxyphenyl)methanamine?
The InChIKey is MDYSNIGEQIMECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-3-20-16-6-4-5-14(10-16)11-19-12-15-7-8-17(18)13(2)9-15/h4-10,19H,3,11-12H2,1-2H3.
What are the key properties of N-[(4-bromo-3-methylphenyl)methyl]-1-(3-ethoxyphenyl)methanamine?
N-[(4-bromo-3-methylphenyl)methyl]-1-(3-ethoxyphenyl)methanamine has a molecular weight of 334.26 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3-methylphenyl)methyl]-1-(3-ethoxyphenyl)methanamine is sourced from PubChem (CID 66474852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).