N-[1-(4-bromophenyl)propyl]-4-methoxy-2-methylaniline

C17H20BrNO — CID 63476866

IUPACN-[1-(4-bromophenyl)propyl]-4-methoxy-2-methylaniline
SMILESCCC(Nc1ccc(OC)cc1C)c1ccc(Br)cc1
InChIInChI=1S/C17H20BrNO/c1-4-16(13-5-7-14(18)8-6-13)19-17-10-9-15(20-3)11-12(17)2/h5-11,16,19H,4H2,1-3H3
InChIKeyYGXBPLSLFQKDAU-UHFFFAOYSA-N
MW334.26 g/mol
LogP5.33
Rot. Bonds5

About N-[1-(4-bromophenyl)propyl]-4-methoxy-2-methylaniline

N-[1-(4-bromophenyl)propyl]-4-methoxy-2-methylaniline (PubChem CID 63476866) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)propyl]-4-methoxy-2-methylaniline.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)propyl]-4-methoxy-2-methylaniline
PubChem CID63476866
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC NameN-[1-(4-bromophenyl)propyl]-4-methoxy-2-methylaniline
SMILESCCC(Nc1ccc(OC)cc1C)c1ccc(Br)cc1
InChIInChI=1S/C17H20BrNO/c1-4-16(13-5-7-14(18)8-6-13)19-17-10-9-15(20-3)11-12(17)2/h5-11,16,19H,4H2,1-3H3
InChIKeyYGXBPLSLFQKDAU-UHFFFAOYSA-N
XLogP5.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.26
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-[1-(4-methoxyphenyl)propyl]-2-methylaniline
CID 43097522
2-bromo-N-[1-(4-bromophenyl)propyl]-4-methylaniline
CID 43096177
2-bromo-N-[1-(4-methoxyphenyl)propyl]aniline
CID 43101763
4-bromo-N-[1-(4-methoxyphenyl)ethyl]-2-methylaniline
CID 43192054
N-[1-(3-bromophenyl)propyl]-2,5-dimethoxyaniline
CID 43760231
N-[1-(4-bromophenyl)ethyl]-1-(4-methoxyphenyl)propan-1-amine
CID 43720365
N-[1-(4-bromophenyl)propyl]-2,5-dichloro-4-methylaniline
CID 104726445
4-bromo-N-[1-(4-bromophenyl)propyl]-3,5-dimethylaniline
CID 107571835
5-bromo-N-[1-(4-bromophenyl)propyl]-2,4-difluoroaniline
CID 102853099
3-methoxy-N-[1-(4-methoxyphenyl)propyl]aniline
CID 43196395
N-[1-(4-bromophenyl)propyl]-2-chloro-4-fluoroaniline
CID 43150469
1-(4-methoxy-2-methylphenyl)-3-(1-phenylpropyl)urea
CID 3395267

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)propyl]-4-methoxy-2-methylaniline?
The IUPAC name of N-[1-(4-bromophenyl)propyl]-4-methoxy-2-methylaniline (CID 63476866) is N-[1-(4-bromophenyl)propyl]-4-methoxy-2-methylaniline.
What is the SMILES notation for N-[1-(4-bromophenyl)propyl]-4-methoxy-2-methylaniline?
The canonical SMILES for N-[1-(4-bromophenyl)propyl]-4-methoxy-2-methylaniline is CCC(Nc1ccc(OC)cc1C)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)propyl]-4-methoxy-2-methylaniline?
The InChIKey is YGXBPLSLFQKDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-4-16(13-5-7-14(18)8-6-13)19-17-10-9-15(20-3)11-12(17)2/h5-11,16,19H,4H2,1-3H3.
What are the key properties of N-[1-(4-bromophenyl)propyl]-4-methoxy-2-methylaniline?
N-[1-(4-bromophenyl)propyl]-4-methoxy-2-methylaniline has a molecular weight of 334.26 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)propyl]-4-methoxy-2-methylaniline is sourced from PubChem (CID 63476866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).