N-[(5-bromo-2-propoxyphenyl)methyl]-4-methylaniline

C17H20BrNO — CID 43765740

IUPACN-[(5-bromo-2-propoxyphenyl)methyl]-4-methylaniline
SMILESCCCOc1ccc(Br)cc1CNc1ccc(C)cc1
InChIInChI=1S/C17H20BrNO/c1-3-10-20-17-9-6-15(18)11-14(17)12-19-16-7-4-13(2)5-8-16/h4-9,11,19H,3,10,12H2,1-2H3
InChIKeyZOBULFVKMFZOAP-UHFFFAOYSA-N
MW334.26 g/mol
LogP5.16
Rot. Bonds6

About N-[(5-bromo-2-propoxyphenyl)methyl]-4-methylaniline

N-[(5-bromo-2-propoxyphenyl)methyl]-4-methylaniline (PubChem CID 43765740) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is N-[(5-bromo-2-propoxyphenyl)methyl]-4-methylaniline.

Molecular Properties

Compound NameN-[(5-bromo-2-propoxyphenyl)methyl]-4-methylaniline
PubChem CID43765740
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC NameN-[(5-bromo-2-propoxyphenyl)methyl]-4-methylaniline
SMILESCCCOc1ccc(Br)cc1CNc1ccc(C)cc1
InChIInChI=1S/C17H20BrNO/c1-3-10-20-17-9-6-15(18)11-14(17)12-19-16-7-4-13(2)5-8-16/h4-9,11,19H,3,10,12H2,1-2H3
InChIKeyZOBULFVKMFZOAP-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

4-methyl-N-[(2-propoxyphenyl)methyl]aniline
CID 39357777
N-[(5-bromo-2-propoxyphenyl)methyl]-2-methylaniline
CID 43766070
4-bromo-N-[(5-bromo-2-propoxyphenyl)methyl]-2-fluoroaniline
CID 43759707
1-(5-bromo-2-propoxyphenyl)-N-methoxymethanamine
CID 82706232
N-[(5-bromo-2-propoxyphenyl)methyl]-3-ethynylaniline
CID 43755451
N-[(5-bromo-2-propoxyphenyl)methyl]-2,6-dichloroaniline
CID 65468190
N-[(5-bromo-2-propoxyphenyl)methyl]propan-2-amine
CID 29224796
N-[(5-bromo-2-propoxyphenyl)methyl]-4-iodo-2-methylaniline
CID 43785187
N-[(5-bromo-2-propoxyphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 43768809
N-[(5-bromo-2-propoxyphenyl)methyl]-2-chloro-6-methylaniline
CID 66253441
N-[(2-methoxy-5-methylphenyl)methyl]-4-propoxyaniline
CID 62327636
2-bromo-N-[(5-bromo-2-propoxyphenyl)methyl]-5-fluoroaniline
CID 107632583

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-propoxyphenyl)methyl]-4-methylaniline?
The IUPAC name of N-[(5-bromo-2-propoxyphenyl)methyl]-4-methylaniline (CID 43765740) is N-[(5-bromo-2-propoxyphenyl)methyl]-4-methylaniline.
What is the SMILES notation for N-[(5-bromo-2-propoxyphenyl)methyl]-4-methylaniline?
The canonical SMILES for N-[(5-bromo-2-propoxyphenyl)methyl]-4-methylaniline is CCCOc1ccc(Br)cc1CNc1ccc(C)cc1.
What is the InChIKey of N-[(5-bromo-2-propoxyphenyl)methyl]-4-methylaniline?
The InChIKey is ZOBULFVKMFZOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-3-10-20-17-9-6-15(18)11-14(17)12-19-16-7-4-13(2)5-8-16/h4-9,11,19H,3,10,12H2,1-2H3.
What are the key properties of N-[(5-bromo-2-propoxyphenyl)methyl]-4-methylaniline?
N-[(5-bromo-2-propoxyphenyl)methyl]-4-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]-4-methylaniline is sourced from PubChem (CID 43765740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).