N-[1-(3-bromophenyl)propyl]-2,5-dimethoxyaniline

C17H20BrNO2 — CID 43760231

IUPACN-[1-(3-bromophenyl)propyl]-2,5-dimethoxyaniline
SMILESCCC(Nc1cc(OC)ccc1OC)c1cccc(Br)c1
InChIInChI=1S/C17H20BrNO2/c1-4-15(12-6-5-7-13(18)10-12)19-16-11-14(20-2)8-9-17(16)21-3/h5-11,15,19H,4H2,1-3H3
InChIKeyCHFVFSSVDAWJBG-UHFFFAOYSA-N
MW350.26 g/mol
LogP5.03
Rot. Bonds6

About N-[1-(3-bromophenyl)propyl]-2,5-dimethoxyaniline

N-[1-(3-bromophenyl)propyl]-2,5-dimethoxyaniline (PubChem CID 43760231) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)propyl]-2,5-dimethoxyaniline.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)propyl]-2,5-dimethoxyaniline
PubChem CID43760231
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC NameN-[1-(3-bromophenyl)propyl]-2,5-dimethoxyaniline
SMILESCCC(Nc1cc(OC)ccc1OC)c1cccc(Br)c1
InChIInChI=1S/C17H20BrNO2/c1-4-15(12-6-5-7-13(18)10-12)19-16-11-14(20-2)8-9-17(16)21-3/h5-11,15,19H,4H2,1-3H3
InChIKeyCHFVFSSVDAWJBG-UHFFFAOYSA-N
XLogP5.03
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.26
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-bromophenyl)propyl]-4-methoxyaniline
CID 43766009
N-[1-(3-bromophenyl)propyl]-3-chloro-4-methoxyaniline
CID 43758118
2,5-dimethoxy-N-(1-phenylbutyl)aniline
CID 43099657
N-[1-(3-bromophenyl)propyl]-2-propan-2-yloxyaniline
CID 43789736
N-[1-(4-bromophenyl)propyl]-4-methoxy-2-methylaniline
CID 63476866
4-methoxy-N-[1-(3-methoxyphenyl)propyl]aniline
CID 46204143
N-[1-(3-bromophenyl)propyl]-2-ethylaniline
CID 43764541
3-bromo-N-[1-(3-bromophenyl)propyl]-2-methylaniline
CID 107629905
methyl 2-[1-(3-bromophenyl)propylamino]benzoate
CID 43774543
3-methoxy-N-[1-(4-methoxyphenyl)propyl]aniline
CID 43196395
2-bromo-N-[1-(4-methoxyphenyl)propyl]aniline
CID 43101763
N-[1-(3-chlorophenyl)propyl]-2-methoxyaniline
CID 43109420

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)propyl]-2,5-dimethoxyaniline?
The IUPAC name of N-[1-(3-bromophenyl)propyl]-2,5-dimethoxyaniline (CID 43760231) is N-[1-(3-bromophenyl)propyl]-2,5-dimethoxyaniline.
What is the SMILES notation for N-[1-(3-bromophenyl)propyl]-2,5-dimethoxyaniline?
The canonical SMILES for N-[1-(3-bromophenyl)propyl]-2,5-dimethoxyaniline is CCC(Nc1cc(OC)ccc1OC)c1cccc(Br)c1.
What is the InChIKey of N-[1-(3-bromophenyl)propyl]-2,5-dimethoxyaniline?
The InChIKey is CHFVFSSVDAWJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2/c1-4-15(12-6-5-7-13(18)10-12)19-16-11-14(20-2)8-9-17(16)21-3/h5-11,15,19H,4H2,1-3H3.
What are the key properties of N-[1-(3-bromophenyl)propyl]-2,5-dimethoxyaniline?
N-[1-(3-bromophenyl)propyl]-2,5-dimethoxyaniline has a molecular weight of 350.26 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)propyl]-2,5-dimethoxyaniline is sourced from PubChem (CID 43760231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).