2-bromo-N-[1-(4-methoxyphenyl)propyl]aniline

C16H18BrNO — CID 43101763

IUPAC2-bromo-N-[1-(4-methoxyphenyl)propyl]aniline
SMILESCCC(Nc1ccccc1Br)c1ccc(OC)cc1
InChIInChI=1S/C16H18BrNO/c1-3-15(12-8-10-13(19-2)11-9-12)18-16-7-5-4-6-14(16)17/h4-11,15,18H,3H2,1-2H3
InChIKeyWXTZFGDJWLQPCD-UHFFFAOYSA-N
MW320.23 g/mol
LogP5.02
Rot. Bonds5

About 2-bromo-N-[1-(4-methoxyphenyl)propyl]aniline

2-bromo-N-[1-(4-methoxyphenyl)propyl]aniline (PubChem CID 43101763) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is 2-bromo-N-[1-(4-methoxyphenyl)propyl]aniline.

Molecular Properties

Compound Name2-bromo-N-[1-(4-methoxyphenyl)propyl]aniline
PubChem CID43101763
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC Name2-bromo-N-[1-(4-methoxyphenyl)propyl]aniline
SMILESCCC(Nc1ccccc1Br)c1ccc(OC)cc1
InChIInChI=1S/C16H18BrNO/c1-3-15(12-8-10-13(19-2)11-9-12)18-16-7-5-4-6-14(16)17/h4-11,15,18H,3H2,1-2H3
InChIKeyWXTZFGDJWLQPCD-UHFFFAOYSA-N
XLogP5.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.23
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-6-fluoro-N-[1-(4-methoxyphenyl)propyl]aniline
CID 107598084
N-(2-bromophenyl)-1-(4-ethoxyphenyl)ethane-1,2-diamine
CID 65384694
2-(2-bromoanilino)-2-(4-propoxyphenyl)ethanol
CID 62497133
2-bromo-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 51187408
N-[1-(4-bromophenyl)propyl]-4-methoxy-2-methylaniline
CID 63476866
3-methoxy-N-[1-(4-methoxyphenyl)propyl]aniline
CID 43196395
2,6-difluoro-N-[1-(4-methoxyphenyl)propyl]aniline
CID 43123944
2-bromo-N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]aniline
CID 43762666
N-[1-(3-bromophenyl)propyl]-2,5-dimethoxyaniline
CID 43760231
4-fluoro-N-[1-(4-methoxyphenyl)propyl]-2-methylaniline
CID 43097522
1-(4-methoxyphenyl)-N-(2-methylsulfanylethyl)propan-1-amine
CID 60697408
N-[1-(4-bromophenyl)ethyl]-1-(4-methoxyphenyl)propan-1-amine
CID 43720365

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(4-methoxyphenyl)propyl]aniline?
The IUPAC name of 2-bromo-N-[1-(4-methoxyphenyl)propyl]aniline (CID 43101763) is 2-bromo-N-[1-(4-methoxyphenyl)propyl]aniline.
What is the SMILES notation for 2-bromo-N-[1-(4-methoxyphenyl)propyl]aniline?
The canonical SMILES for 2-bromo-N-[1-(4-methoxyphenyl)propyl]aniline is CCC(Nc1ccccc1Br)c1ccc(OC)cc1.
What is the InChIKey of 2-bromo-N-[1-(4-methoxyphenyl)propyl]aniline?
The InChIKey is WXTZFGDJWLQPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO/c1-3-15(12-8-10-13(19-2)11-9-12)18-16-7-5-4-6-14(16)17/h4-11,15,18H,3H2,1-2H3.
What are the key properties of 2-bromo-N-[1-(4-methoxyphenyl)propyl]aniline?
2-bromo-N-[1-(4-methoxyphenyl)propyl]aniline has a molecular weight of 320.23 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(4-methoxyphenyl)propyl]aniline is sourced from PubChem (CID 43101763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).