N-[2-(4-bromo-3-methylphenoxy)propyl]aniline

C16H18BrNO — CID 83140021

IUPACN-[2-(4-bromo-3-methylphenoxy)propyl]aniline
SMILESCc1cc(OC(C)CNc2ccccc2)ccc1Br
InChIInChI=1S/C16H18BrNO/c1-12-10-15(8-9-16(12)17)19-13(2)11-18-14-6-4-3-5-7-14/h3-10,13,18H,11H2,1-2H3
InChIKeyYSXAPZGZFOXOAW-UHFFFAOYSA-N
MW320.23 g/mol
LogP4.64
Rot. Bonds5

About N-[2-(4-bromo-3-methylphenoxy)propyl]aniline

N-[2-(4-bromo-3-methylphenoxy)propyl]aniline (PubChem CID 83140021) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is N-[2-(4-bromo-3-methylphenoxy)propyl]aniline.

Molecular Properties

Compound NameN-[2-(4-bromo-3-methylphenoxy)propyl]aniline
PubChem CID83140021
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC NameN-[2-(4-bromo-3-methylphenoxy)propyl]aniline
SMILESCc1cc(OC(C)CNc2ccccc2)ccc1Br
InChIInChI=1S/C16H18BrNO/c1-12-10-15(8-9-16(12)17)19-13(2)11-18-14-6-4-3-5-7-14/h3-10,13,18H,11H2,1-2H3
InChIKeyYSXAPZGZFOXOAW-UHFFFAOYSA-N
XLogP4.64
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 ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-bromo-3-methylphenoxy)propyl]-2-methylpropan-2-amine
CID 83140591
N-[2-(2,3-dihydro-1H-inden-5-yloxy)propyl]aniline
CID 62598550
2-(4-bromo-3-methylphenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 83140097
2-(4-bromo-3-methylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 83141001
4-bromo-3-methyl-N-(2-phenylpropyl)aniline
CID 43102221
1-(4-bromo-3-methylphenoxy)-1-phenylpropan-2-amine
CID 83133006
N-[2-(2,6-dimethylphenoxy)propyl]-3-(2-phenoxyethoxy)aniline
CID 54800741
N-[(4-bromo-3-methylphenyl)methyl]aniline
CID 66472770
N-[2-(2-methylphenoxy)propyl]-4-phenoxyaniline
CID 54796761
2-(4-bromo-3-methylphenoxy)-2-phenylacetic acid
CID 20994318
1-bromo-2-methyl-4-(2-phenoxyethoxy)benzene
CID 83133442
N-[2-(2,6-dimethylphenoxy)propyl]-3-(2-methoxyethoxy)aniline
CID 54803104

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromo-3-methylphenoxy)propyl]aniline?
The IUPAC name of N-[2-(4-bromo-3-methylphenoxy)propyl]aniline (CID 83140021) is N-[2-(4-bromo-3-methylphenoxy)propyl]aniline.
What is the SMILES notation for N-[2-(4-bromo-3-methylphenoxy)propyl]aniline?
The canonical SMILES for N-[2-(4-bromo-3-methylphenoxy)propyl]aniline is Cc1cc(OC(C)CNc2ccccc2)ccc1Br.
What is the InChIKey of N-[2-(4-bromo-3-methylphenoxy)propyl]aniline?
The InChIKey is YSXAPZGZFOXOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO/c1-12-10-15(8-9-16(12)17)19-13(2)11-18-14-6-4-3-5-7-14/h3-10,13,18H,11H2,1-2H3.
What are the key properties of N-[2-(4-bromo-3-methylphenoxy)propyl]aniline?
N-[2-(4-bromo-3-methylphenoxy)propyl]aniline has a molecular weight of 320.23 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromo-3-methylphenoxy)propyl]aniline is sourced from PubChem (CID 83140021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).