4-bromo-3-methoxy-N-(1-phenylpropyl)aniline

C16H18BrNO — CID 82857891

IUPAC4-bromo-3-methoxy-N-(1-phenylpropyl)aniline
SMILESCCC(Nc1ccc(Br)c(OC)c1)c1ccccc1
InChIInChI=1S/C16H18BrNO/c1-3-15(12-7-5-4-6-8-12)18-13-9-10-14(17)16(11-13)19-2/h4-11,15,18H,3H2,1-2H3
InChIKeyWNUOVKLPXWBXHD-UHFFFAOYSA-N
MW320.23 g/mol
LogP5.02
Rot. Bonds5

About 4-bromo-3-methoxy-N-(1-phenylpropyl)aniline

4-bromo-3-methoxy-N-(1-phenylpropyl)aniline (PubChem CID 82857891) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is 4-bromo-3-methoxy-N-(1-phenylpropyl)aniline.

Molecular Properties

Compound Name4-bromo-3-methoxy-N-(1-phenylpropyl)aniline
PubChem CID82857891
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC Name4-bromo-3-methoxy-N-(1-phenylpropyl)aniline
SMILESCCC(Nc1ccc(Br)c(OC)c1)c1ccccc1
InChIInChI=1S/C16H18BrNO/c1-3-15(12-7-5-4-6-8-12)18-13-9-10-14(17)16(11-13)19-2/h4-11,15,18H,3H2,1-2H3
InChIKeyWNUOVKLPXWBXHD-UHFFFAOYSA-N
XLogP5.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.23
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromo-3-methoxyanilino)-3-phenylpropanenitrile
CID 82867525
4-fluoro-N-[1-(3-fluorophenyl)propyl]-3-methoxyaniline
CID 114871894
4-bromo-N-heptan-4-yl-3-methoxyaniline
CID 82858432
N-[1-(3-bromophenyl)propyl]-3-chloro-4-methoxyaniline
CID 43758118
4-bromo-3-methoxy-N-[1-(3-methylphenyl)ethyl]aniline
CID 82857351
2-(4-bromo-3-methoxyanilino)-3-methoxypropanoic acid
CID 103261943
3-methoxy-N-(1-phenylpropyl)pyridin-2-amine
CID 112568517
3-(methoxymethyl)-N-(1-phenylpropyl)aniline
CID 43672251
(2R)-2-amino-N-(4-bromo-3-methoxyphenyl)-2-phenylacetamide
CID 81425486
N-[(3-bromo-4-methoxyphenyl)methyl]-1-phenylpropan-1-amine
CID 62048590
4-fluoro-3-methyl-N-(1-phenylpropyl)aniline
CID 62809853
3-bromo-N-(2-methoxy-1-phenylethyl)-4-methylaniline
CID 103464261

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methoxy-N-(1-phenylpropyl)aniline?
The IUPAC name of 4-bromo-3-methoxy-N-(1-phenylpropyl)aniline (CID 82857891) is 4-bromo-3-methoxy-N-(1-phenylpropyl)aniline.
What is the SMILES notation for 4-bromo-3-methoxy-N-(1-phenylpropyl)aniline?
The canonical SMILES for 4-bromo-3-methoxy-N-(1-phenylpropyl)aniline is CCC(Nc1ccc(Br)c(OC)c1)c1ccccc1.
What is the InChIKey of 4-bromo-3-methoxy-N-(1-phenylpropyl)aniline?
The InChIKey is WNUOVKLPXWBXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO/c1-3-15(12-7-5-4-6-8-12)18-13-9-10-14(17)16(11-13)19-2/h4-11,15,18H,3H2,1-2H3.
What are the key properties of 4-bromo-3-methoxy-N-(1-phenylpropyl)aniline?
4-bromo-3-methoxy-N-(1-phenylpropyl)aniline has a molecular weight of 320.23 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methoxy-N-(1-phenylpropyl)aniline is sourced from PubChem (CID 82857891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).