N-[(4-bromophenyl)methyl]-4-methyl-2-propoxyaniline

C17H20BrNO — CID 63453167

IUPACN-[(4-bromophenyl)methyl]-4-methyl-2-propoxyaniline
SMILESCCCOc1cc(C)ccc1NCc1ccc(Br)cc1
InChIInChI=1S/C17H20BrNO/c1-3-10-20-17-11-13(2)4-9-16(17)19-12-14-5-7-15(18)8-6-14/h4-9,11,19H,3,10,12H2,1-2H3
InChIKeyJLUCVUAYOOBJKD-UHFFFAOYSA-N
MW334.26 g/mol
LogP5.16
Rot. Bonds6

About N-[(4-bromophenyl)methyl]-4-methyl-2-propoxyaniline

N-[(4-bromophenyl)methyl]-4-methyl-2-propoxyaniline (PubChem CID 63453167) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-4-methyl-2-propoxyaniline.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-4-methyl-2-propoxyaniline
PubChem CID63453167
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC NameN-[(4-bromophenyl)methyl]-4-methyl-2-propoxyaniline
SMILESCCCOc1cc(C)ccc1NCc1ccc(Br)cc1
InChIInChI=1S/C17H20BrNO/c1-3-10-20-17-11-13(2)4-9-16(17)19-12-14-5-7-15(18)8-6-14/h4-9,11,19H,3,10,12H2,1-2H3
InChIKeyJLUCVUAYOOBJKD-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-[(4-bromo-3-methylphenyl)methyl]-4-methyl-2-propoxyaniline
CID 66472407
2-(4-bromophenoxy)-N-(4-methyl-2-propoxyphenyl)acetamide
CID 55901846
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-4-methyl-2-propoxyaniline
CID 102834473
N-[(3-bromothiophen-2-yl)methyl]-4-methyl-2-propoxyaniline
CID 115380179
N-[(6-bromo-2-pyridinyl)methyl]-4-methyl-2-propoxyaniline
CID 115938149
N-[(5-ethylfuran-2-yl)methyl]-4-methyl-2-propoxyaniline
CID 62347253
N-benzyl-2-(2-methoxyethoxy)-4-methylaniline
CID 60935556
N-(furan-2-ylmethyl)-4-methyl-2-propoxyaniline
CID 54864634
N-[(3-bromo-4-methylphenyl)methyl]-2-ethoxy-4-methylaniline
CID 105401396
4-methyl-N-[(2-methylpyrazol-3-yl)methyl]-2-propoxyaniline
CID 54864670
4-methyl-2-propoxy-N-[(1-propylpyrazol-4-yl)methyl]aniline
CID 103818721
2-methoxy-4-methyl-N-[(4-methylphenyl)methyl]aniline
CID 54865900

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-4-methyl-2-propoxyaniline?
The IUPAC name of N-[(4-bromophenyl)methyl]-4-methyl-2-propoxyaniline (CID 63453167) is N-[(4-bromophenyl)methyl]-4-methyl-2-propoxyaniline.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-4-methyl-2-propoxyaniline?
The canonical SMILES for N-[(4-bromophenyl)methyl]-4-methyl-2-propoxyaniline is CCCOc1cc(C)ccc1NCc1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-4-methyl-2-propoxyaniline?
The InChIKey is JLUCVUAYOOBJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-3-10-20-17-11-13(2)4-9-16(17)19-12-14-5-7-15(18)8-6-14/h4-9,11,19H,3,10,12H2,1-2H3.
What are the key properties of N-[(4-bromophenyl)methyl]-4-methyl-2-propoxyaniline?
N-[(4-bromophenyl)methyl]-4-methyl-2-propoxyaniline 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-[(4-bromophenyl)methyl]-4-methyl-2-propoxyaniline is sourced from PubChem (CID 63453167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).