2-bromo-N-[1-(2-methoxyphenyl)propan-2-yl]aniline

C16H18BrNO — CID 43762628

IUPAC2-bromo-N-[1-(2-methoxyphenyl)propan-2-yl]aniline
SMILESCOc1ccccc1CC(C)Nc1ccccc1Br
InChIInChI=1S/C16H18BrNO/c1-12(18-15-9-5-4-8-14(15)17)11-13-7-3-6-10-16(13)19-2/h3-10,12,18H,11H2,1-2H3
InChIKeyMKDXVKOZUXAURJ-UHFFFAOYSA-N
MW320.23 g/mol
LogP4.50
Rot. Bonds5

About 2-bromo-N-[1-(2-methoxyphenyl)propan-2-yl]aniline

2-bromo-N-[1-(2-methoxyphenyl)propan-2-yl]aniline (PubChem CID 43762628) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is 2-bromo-N-[1-(2-methoxyphenyl)propan-2-yl]aniline.

Molecular Properties

Compound Name2-bromo-N-[1-(2-methoxyphenyl)propan-2-yl]aniline
PubChem CID43762628
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC Name2-bromo-N-[1-(2-methoxyphenyl)propan-2-yl]aniline
SMILESCOc1ccccc1CC(C)Nc1ccccc1Br
InChIInChI=1S/C16H18BrNO/c1-12(18-15-9-5-4-8-14(15)17)11-13-7-3-6-10-16(13)19-2/h3-10,12,18H,11H2,1-2H3
InChIKeyMKDXVKOZUXAURJ-UHFFFAOYSA-N
XLogP4.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylaniline
CID 43787862
2-bromo-6-[[1-(2-methoxyphenyl)propan-2-ylamino]methyl]phenol
CID 61391582
2,4-dichloro-N-[1-(2-methoxyphenyl)propan-2-yl]aniline
CID 43758711
2-bromo-4,6-difluoro-N-[1-(2-methoxyphenyl)propan-2-yl]aniline
CID 43775031
2-chloro-5-methoxy-N-[1-(2-methoxyphenyl)propan-2-yl]aniline
CID 63454158
5-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylaniline
CID 43755227
2-bromo-N-butan-2-ylaniline
CID 43194515
1-(2-bromophenyl)-3-(2-methoxyphenyl)propan-2-amine
CID 61261607
2-bromo-N-[1-(4-bromophenyl)propan-2-yl]aniline
CID 114081198
N-[1-(5-bromofuran-2-yl)ethyl]-1-(2-methoxyphenyl)propan-2-amine
CID 104652788
1-bromo-2-[1-chloro-2-(2-methoxyphenyl)ethyl]benzene
CID 63543875
1-(2-methoxyphenyl)-N-(1-methylsulfanylpropan-2-yl)propan-2-amine
CID 115721693

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(2-methoxyphenyl)propan-2-yl]aniline?
The IUPAC name of 2-bromo-N-[1-(2-methoxyphenyl)propan-2-yl]aniline (CID 43762628) is 2-bromo-N-[1-(2-methoxyphenyl)propan-2-yl]aniline.
What is the SMILES notation for 2-bromo-N-[1-(2-methoxyphenyl)propan-2-yl]aniline?
The canonical SMILES for 2-bromo-N-[1-(2-methoxyphenyl)propan-2-yl]aniline is COc1ccccc1CC(C)Nc1ccccc1Br.
What is the InChIKey of 2-bromo-N-[1-(2-methoxyphenyl)propan-2-yl]aniline?
The InChIKey is MKDXVKOZUXAURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO/c1-12(18-15-9-5-4-8-14(15)17)11-13-7-3-6-10-16(13)19-2/h3-10,12,18H,11H2,1-2H3.
What are the key properties of 2-bromo-N-[1-(2-methoxyphenyl)propan-2-yl]aniline?
2-bromo-N-[1-(2-methoxyphenyl)propan-2-yl]aniline has a molecular weight of 320.23 g/mol, XLogP of 4.50, 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-(2-methoxyphenyl)propan-2-yl]aniline is sourced from PubChem (CID 43762628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).