1-[4-[(4-bromophenyl)methoxy]phenyl]-N-methylpropan-1-amine

C17H20BrNO — CID 60889728

IUPAC1-[4-[(4-bromophenyl)methoxy]phenyl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccc(OCc2ccc(Br)cc2)cc1
InChIInChI=1S/C17H20BrNO/c1-3-17(19-2)14-6-10-16(11-7-14)20-12-13-4-8-15(18)9-5-13/h4-11,17,19H,3,12H2,1-2H3
InChIKeyTYXGMIHTTWBHFD-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.70
Rot. Bonds6

About 1-[4-[(4-bromophenyl)methoxy]phenyl]-N-methylpropan-1-amine

1-[4-[(4-bromophenyl)methoxy]phenyl]-N-methylpropan-1-amine (PubChem CID 60889728) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is 1-[4-[(4-bromophenyl)methoxy]phenyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-[4-[(4-bromophenyl)methoxy]phenyl]-N-methylpropan-1-amine
PubChem CID60889728
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name1-[4-[(4-bromophenyl)methoxy]phenyl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccc(OCc2ccc(Br)cc2)cc1
InChIInChI=1S/C17H20BrNO/c1-3-17(19-2)14-6-10-16(11-7-14)20-12-13-4-8-15(18)9-5-13/h4-11,17,19H,3,12H2,1-2H3
InChIKeyTYXGMIHTTWBHFD-UHFFFAOYSA-N
XLogP4.70
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 ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(5-bromothiophen-2-yl)methoxy]phenyl]-N-methylpropan-1-amine
CID 60887228
1-[4-[(4-bromophenyl)methoxy]phenyl]-N-methylpropan-2-amine
CID 115494771
N-methyl-1-[4-(2-propoxyethoxy)phenyl]propan-1-amine
CID 106449842
N-[[4-[(4-bromophenoxy)methyl]phenyl]methyl]propan-2-amine
CID 63497866
N-methyl-1-[4-(4-propoxyphenyl)phenyl]propan-1-amine
CID 63425079
1-[5-[(4-bromophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine
CID 79775958
6-[4-[1-(methylamino)propyl]phenoxy]hexan-1-ol
CID 107702416
3-[(4-bromophenoxy)methyl]-N-[1-(4-propan-2-ylphenyl)propyl]benzamide
CID 4055006
N-methyl-1-[4-(2-pyridin-4-ylethoxy)phenyl]propan-1-amine
CID 60892058
1-[4-(difluoromethoxy)phenyl]-N-methylpropan-1-amine
CID 43280106
2-(4-bromophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 43480571
1-butan-2-yl-4-[(4-ethylphenyl)methoxy]benzene
CID 107669037

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-bromophenyl)methoxy]phenyl]-N-methylpropan-1-amine?
The IUPAC name of 1-[4-[(4-bromophenyl)methoxy]phenyl]-N-methylpropan-1-amine (CID 60889728) is 1-[4-[(4-bromophenyl)methoxy]phenyl]-N-methylpropan-1-amine.
What is the SMILES notation for 1-[4-[(4-bromophenyl)methoxy]phenyl]-N-methylpropan-1-amine?
The canonical SMILES for 1-[4-[(4-bromophenyl)methoxy]phenyl]-N-methylpropan-1-amine is CCC(NC)c1ccc(OCc2ccc(Br)cc2)cc1.
What is the InChIKey of 1-[4-[(4-bromophenyl)methoxy]phenyl]-N-methylpropan-1-amine?
The InChIKey is TYXGMIHTTWBHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-3-17(19-2)14-6-10-16(11-7-14)20-12-13-4-8-15(18)9-5-13/h4-11,17,19H,3,12H2,1-2H3.
What are the key properties of 1-[4-[(4-bromophenyl)methoxy]phenyl]-N-methylpropan-1-amine?
1-[4-[(4-bromophenyl)methoxy]phenyl]-N-methylpropan-1-amine has a molecular weight of 334.26 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-bromophenyl)methoxy]phenyl]-N-methylpropan-1-amine is sourced from PubChem (CID 60889728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).