N-[(5-bromo-2-ethoxyphenyl)methyl]-2-methylpropan-1-amine

C13H20BrNO — CID 973105

IUPACN-[(5-bromo-2-ethoxyphenyl)methyl]-2-methylpropan-1-amine
SMILESCCOc1ccc(Br)cc1CNCC(C)C
InChIInChI=1S/C13H20BrNO/c1-4-16-13-6-5-12(14)7-11(13)9-15-8-10(2)3/h5-7,10,15H,4,8-9H2,1-3H3
InChIKeyNPITVZWRECOFCS-UHFFFAOYSA-N
MW286.21 g/mol
LogP3.59
Rot. Bonds6

About N-[(5-bromo-2-ethoxyphenyl)methyl]-2-methylpropan-1-amine

N-[(5-bromo-2-ethoxyphenyl)methyl]-2-methylpropan-1-amine (PubChem CID 973105) has the molecular formula C13H20BrNO and a molecular weight of 286.21 g/mol. Its IUPAC name is N-[(5-bromo-2-ethoxyphenyl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-ethoxyphenyl)methyl]-2-methylpropan-1-amine
PubChem CID973105
Molecular FormulaC13H20BrNO
Molecular Weight286.21 g/mol
Exact Mass285.07
IUPAC NameN-[(5-bromo-2-ethoxyphenyl)methyl]-2-methylpropan-1-amine
SMILESCCOc1ccc(Br)cc1CNCC(C)C
InChIInChI=1S/C13H20BrNO/c1-4-16-13-6-5-12(14)7-11(13)9-15-8-10(2)3/h5-7,10,15H,4,8-9H2,1-3H3
InChIKeyNPITVZWRECOFCS-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-bromo-2-(3-methoxypropoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63056496
N-[(5-bromo-2-ethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17292192
3-[4-bromo-2-[(2-methylpropylamino)methyl]phenoxy]propane-1,2-diol
CID 82850872
5-(5-bromo-2-ethoxyphenyl)-N-(2-methylpropyl)pentan-1-amine
CID 65305802
N-[[5-bromo-2-(2-methylsulfonylethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63056495
N-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 4716987
N-[[5-bromo-2-(3-methoxy-3-methylbutoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 103032782
2-[4-bromo-2-[(2-methylpropylamino)methyl]phenoxy]-N-tert-butylacetamide
CID 17053907
N-[(5-bromo-2-propoxyphenyl)methyl]-2,2-diethoxyethanamine
CID 78910425
N-[(5-bromo-2-propoxyphenyl)methyl]-2-methylsulfanylpropan-1-amine
CID 113466393
2-[4-bromo-2-[(2-methylpropylamino)methyl]phenoxy]propanamide
CID 63057512
N-[(5-bromo-2-cycloheptyloxyphenyl)methyl]-2-methylpropan-1-amine
CID 82927406

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-ethoxyphenyl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(5-bromo-2-ethoxyphenyl)methyl]-2-methylpropan-1-amine (CID 973105) is N-[(5-bromo-2-ethoxyphenyl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(5-bromo-2-ethoxyphenyl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(5-bromo-2-ethoxyphenyl)methyl]-2-methylpropan-1-amine is CCOc1ccc(Br)cc1CNCC(C)C.
What is the InChIKey of N-[(5-bromo-2-ethoxyphenyl)methyl]-2-methylpropan-1-amine?
The InChIKey is NPITVZWRECOFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO/c1-4-16-13-6-5-12(14)7-11(13)9-15-8-10(2)3/h5-7,10,15H,4,8-9H2,1-3H3.
What are the key properties of N-[(5-bromo-2-ethoxyphenyl)methyl]-2-methylpropan-1-amine?
N-[(5-bromo-2-ethoxyphenyl)methyl]-2-methylpropan-1-amine has a molecular weight of 286.21 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-ethoxyphenyl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 973105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).