1-[4-[(4-bromophenyl)methoxy]phenyl]-N-methylpropan-2-amine

C17H20BrNO — CID 115494771

IUPAC1-[4-[(4-bromophenyl)methoxy]phenyl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1ccc(OCc2ccc(Br)cc2)cc1
InChIInChI=1S/C17H20BrNO/c1-13(19-2)11-14-5-9-17(10-6-14)20-12-15-3-7-16(18)8-4-15/h3-10,13,19H,11-12H2,1-2H3
InChIKeyCOAHGFARANORTD-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.18
Rot. Bonds6

About 1-[4-[(4-bromophenyl)methoxy]phenyl]-N-methylpropan-2-amine

1-[4-[(4-bromophenyl)methoxy]phenyl]-N-methylpropan-2-amine (PubChem CID 115494771) 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-2-amine.

Molecular Properties

Compound Name1-[4-[(4-bromophenyl)methoxy]phenyl]-N-methylpropan-2-amine
PubChem CID115494771
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name1-[4-[(4-bromophenyl)methoxy]phenyl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1ccc(OCc2ccc(Br)cc2)cc1
InChIInChI=1S/C17H20BrNO/c1-13(19-2)11-14-5-9-17(10-6-14)20-12-15-3-7-16(18)8-4-15/h3-10,13,19H,11-12H2,1-2H3
InChIKeyCOAHGFARANORTD-UHFFFAOYSA-N
XLogP4.18
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 ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-(4-bromophenoxy)-N-methylpropan-2-amine
CID 161260305
N-[[4-[(4-bromophenoxy)methyl]phenyl]methyl]propan-2-amine
CID 63497866
1-[4-[(4-bromophenyl)methoxy]phenyl]-N-methylpropan-1-amine
CID 60889728
1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-methylpropan-2-amine
CID 115494579
1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-N-methylpropan-2-amine
CID 115494711
N-methyl-1-[4-[(5-methyl-3-pyridinyl)methoxy]phenyl]propan-2-amine
CID 102880495
1-[4-[(3-chloro-4-fluorophenyl)methoxy]phenyl]-N-methylpropan-2-amine
CID 103037894
4-[[4-[2-(methylamino)propyl]phenoxy]methyl]pyridine-2-carbonitrile
CID 115494851
2-methyl-1-[4-[2-(methylamino)propyl]phenoxy]propan-2-ol
CID 115494621
2-[4-[(2S)-2-(methylamino)propyl]phenoxy]acetic acid
CID 10236117
1-[4-[(2,5-dichlorophenyl)methoxy]phenyl]-N-methylpropan-2-amine
CID 115494853
2-[4-[2-(methylamino)propyl]phenoxy]acetamide
CID 115494731

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-bromophenyl)methoxy]phenyl]-N-methylpropan-2-amine?
The IUPAC name of 1-[4-[(4-bromophenyl)methoxy]phenyl]-N-methylpropan-2-amine (CID 115494771) is 1-[4-[(4-bromophenyl)methoxy]phenyl]-N-methylpropan-2-amine.
What is the SMILES notation for 1-[4-[(4-bromophenyl)methoxy]phenyl]-N-methylpropan-2-amine?
The canonical SMILES for 1-[4-[(4-bromophenyl)methoxy]phenyl]-N-methylpropan-2-amine is CNC(C)Cc1ccc(OCc2ccc(Br)cc2)cc1.
What is the InChIKey of 1-[4-[(4-bromophenyl)methoxy]phenyl]-N-methylpropan-2-amine?
The InChIKey is COAHGFARANORTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-13(19-2)11-14-5-9-17(10-6-14)20-12-15-3-7-16(18)8-4-15/h3-10,13,19H,11-12H2,1-2H3.
What are the key properties of 1-[4-[(4-bromophenyl)methoxy]phenyl]-N-methylpropan-2-amine?
1-[4-[(4-bromophenyl)methoxy]phenyl]-N-methylpropan-2-amine has a molecular weight of 334.26 g/mol, XLogP of 4.18, 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-2-amine is sourced from PubChem (CID 115494771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).