N-[(4-bromo-3-methylphenyl)methyl]-2-ethoxypropan-1-amine

C13H20BrNO — CID 115668244

IUPACN-[(4-bromo-3-methylphenyl)methyl]-2-ethoxypropan-1-amine
SMILESCCOC(C)CNCc1ccc(Br)c(C)c1
InChIInChI=1S/C13H20BrNO/c1-4-16-11(3)8-15-9-12-5-6-13(14)10(2)7-12/h5-7,11,15H,4,8-9H2,1-3H3
InChIKeyCZAPZHJHMXNDHC-UHFFFAOYSA-N
MW286.21 g/mol
LogP3.27
Rot. Bonds6

About N-[(4-bromo-3-methylphenyl)methyl]-2-ethoxypropan-1-amine

N-[(4-bromo-3-methylphenyl)methyl]-2-ethoxypropan-1-amine (PubChem CID 115668244) has the molecular formula C13H20BrNO and a molecular weight of 286.21 g/mol. Its IUPAC name is N-[(4-bromo-3-methylphenyl)methyl]-2-ethoxypropan-1-amine.

Molecular Properties

Compound NameN-[(4-bromo-3-methylphenyl)methyl]-2-ethoxypropan-1-amine
PubChem CID115668244
Molecular FormulaC13H20BrNO
Molecular Weight286.21 g/mol
Exact Mass285.07
IUPAC NameN-[(4-bromo-3-methylphenyl)methyl]-2-ethoxypropan-1-amine
SMILESCCOC(C)CNCc1ccc(Br)c(C)c1
InChIInChI=1S/C13H20BrNO/c1-4-16-11(3)8-15-9-12-5-6-13(14)10(2)7-12/h5-7,11,15H,4,8-9H2,1-3H3
InChIKeyCZAPZHJHMXNDHC-UHFFFAOYSA-N
XLogP3.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,4-dibromophenyl)methyl]-2-ethoxypropan-1-amine
CID 115693242
N-[(4-bromo-3-methylphenyl)methyl]-2-methylpropan-1-amine
CID 66472971
(2R)-1-[(4-bromo-3-methylphenyl)methylamino]propan-2-ol
CID 95932159
N-[(3,4-dichlorophenyl)methyl]-2-ethoxypropan-1-amine
CID 115655535
3-[(4-bromo-3-methylphenyl)methylamino]propane-1,2-diol
CID 66473650
(2R)-1-[(4-bromo-3-methylphenyl)methylamino]-3-methoxypropan-2-ol
CID 97044790
2-ethoxy-N-[(6-methoxynaphthalen-2-yl)methyl]propan-1-amine
CID 115655584
2-ethoxy-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine
CID 105378678
ethyl 2-[(4-bromo-3-methylphenyl)methylamino]acetate
CID 66474260
2-ethoxy-N-[(3-ethoxyphenyl)methyl]propan-1-amine
CID 115655619
2-ethoxy-N-(1H-indol-5-ylmethyl)propan-1-amine
CID 102911958
N-[(4-bromo-3-methylphenyl)methyl]-2-methylpentan-3-amine
CID 66472030

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-methylphenyl)methyl]-2-ethoxypropan-1-amine?
The IUPAC name of N-[(4-bromo-3-methylphenyl)methyl]-2-ethoxypropan-1-amine (CID 115668244) is N-[(4-bromo-3-methylphenyl)methyl]-2-ethoxypropan-1-amine.
What is the SMILES notation for N-[(4-bromo-3-methylphenyl)methyl]-2-ethoxypropan-1-amine?
The canonical SMILES for N-[(4-bromo-3-methylphenyl)methyl]-2-ethoxypropan-1-amine is CCOC(C)CNCc1ccc(Br)c(C)c1.
What is the InChIKey of N-[(4-bromo-3-methylphenyl)methyl]-2-ethoxypropan-1-amine?
The InChIKey is CZAPZHJHMXNDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO/c1-4-16-11(3)8-15-9-12-5-6-13(14)10(2)7-12/h5-7,11,15H,4,8-9H2,1-3H3.
What are the key properties of N-[(4-bromo-3-methylphenyl)methyl]-2-ethoxypropan-1-amine?
N-[(4-bromo-3-methylphenyl)methyl]-2-ethoxypropan-1-amine has a molecular weight of 286.21 g/mol, XLogP of 3.27, 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]-2-ethoxypropan-1-amine is sourced from PubChem (CID 115668244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).