N-[(5-bromo-2-propoxyphenyl)methyl]-2-methylaniline

C17H20BrNO — CID 43766070

IUPACN-[(5-bromo-2-propoxyphenyl)methyl]-2-methylaniline
SMILESCCCOc1ccc(Br)cc1CNc1ccccc1C
InChIInChI=1S/C17H20BrNO/c1-3-10-20-17-9-8-15(18)11-14(17)12-19-16-7-5-4-6-13(16)2/h4-9,11,19H,3,10,12H2,1-2H3
InChIKeyLWCZVSPKVQVDFQ-UHFFFAOYSA-N
MW334.26 g/mol
LogP5.16
Rot. Bonds6

About N-[(5-bromo-2-propoxyphenyl)methyl]-2-methylaniline

N-[(5-bromo-2-propoxyphenyl)methyl]-2-methylaniline (PubChem CID 43766070) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is N-[(5-bromo-2-propoxyphenyl)methyl]-2-methylaniline.

Molecular Properties

Compound NameN-[(5-bromo-2-propoxyphenyl)methyl]-2-methylaniline
PubChem CID43766070
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC NameN-[(5-bromo-2-propoxyphenyl)methyl]-2-methylaniline
SMILESCCCOc1ccc(Br)cc1CNc1ccccc1C
InChIInChI=1S/C17H20BrNO/c1-3-10-20-17-9-8-15(18)11-14(17)12-19-16-7-5-4-6-13(16)2/h4-9,11,19H,3,10,12H2,1-2H3
InChIKeyLWCZVSPKVQVDFQ-UHFFFAOYSA-N
XLogP5.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.26
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-2-propoxyphenyl)methyl]-4-iodo-2-methylaniline
CID 43785187
N-[(5-bromo-2-propoxyphenyl)methyl]-2-chloro-6-methylaniline
CID 66253441
4-bromo-N-[(5-bromo-2-propoxyphenyl)methyl]-2-fluoroaniline
CID 43759707
N-[(5-bromo-2-propoxyphenyl)methyl]-4-methylaniline
CID 43765740
N-[(5-bromo-2-fluorophenyl)methyl]-2-propoxyaniline
CID 43682226
2-bromo-N-[(5-bromo-2-propoxyphenyl)methyl]-5-fluoroaniline
CID 107632583
N-[(5-bromo-2-propoxyphenyl)methyl]-2,6-dichloroaniline
CID 65468190
N-[(5-bromo-2-ethoxyphenyl)methyl]-2-ethylaniline
CID 126121511
1-(5-bromo-2-propoxyphenyl)-N-methoxymethanamine
CID 82706232
N-[(5-bromo-2-propoxyphenyl)methyl]propan-2-amine
CID 29224796
2-bromo-N-[(5-bromo-2-propoxyphenyl)methyl]-6-fluoroaniline
CID 107597890
N-[(5-bromo-2-propoxyphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 43768809

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-propoxyphenyl)methyl]-2-methylaniline?
The IUPAC name of N-[(5-bromo-2-propoxyphenyl)methyl]-2-methylaniline (CID 43766070) is N-[(5-bromo-2-propoxyphenyl)methyl]-2-methylaniline.
What is the SMILES notation for N-[(5-bromo-2-propoxyphenyl)methyl]-2-methylaniline?
The canonical SMILES for N-[(5-bromo-2-propoxyphenyl)methyl]-2-methylaniline is CCCOc1ccc(Br)cc1CNc1ccccc1C.
What is the InChIKey of N-[(5-bromo-2-propoxyphenyl)methyl]-2-methylaniline?
The InChIKey is LWCZVSPKVQVDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-3-10-20-17-9-8-15(18)11-14(17)12-19-16-7-5-4-6-13(16)2/h4-9,11,19H,3,10,12H2,1-2H3.
What are the key properties of N-[(5-bromo-2-propoxyphenyl)methyl]-2-methylaniline?
N-[(5-bromo-2-propoxyphenyl)methyl]-2-methylaniline has a molecular weight of 334.26 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-propoxyphenyl)methyl]-2-methylaniline is sourced from PubChem (CID 43766070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).