5-bromo-2-fluoro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline

C17H19BrFNO — CID 43777522

IUPAC5-bromo-2-fluoro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline
SMILESCOc1ccc(CCC(C)Nc2cc(Br)ccc2F)cc1
InChIInChI=1S/C17H19BrFNO/c1-12(20-17-11-14(18)7-10-16(17)19)3-4-13-5-8-15(21-2)9-6-13/h5-12,20H,3-4H2,1-2H3
InChIKeySYVKIANQADNUGL-UHFFFAOYSA-N
MW352.25 g/mol
LogP5.03
Rot. Bonds6

About 5-bromo-2-fluoro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline

5-bromo-2-fluoro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline (PubChem CID 43777522) has the molecular formula C17H19BrFNO and a molecular weight of 352.25 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline
PubChem CID43777522
Molecular FormulaC17H19BrFNO
Molecular Weight352.25 g/mol
Exact Mass351.06
IUPAC Name5-bromo-2-fluoro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline
SMILESCOc1ccc(CCC(C)Nc2cc(Br)ccc2F)cc1
InChIInChI=1S/C17H19BrFNO/c1-12(20-17-11-14(18)7-10-16(17)19)3-4-13-5-8-15(21-2)9-6-13/h5-12,20H,3-4H2,1-2H3
InChIKeySYVKIANQADNUGL-UHFFFAOYSA-N
XLogP5.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.25
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-fluorophenyl)-3-(4-methoxyphenyl)propan-1-amine
CID 114894603
5-bromo-2-fluoro-N-heptan-2-ylaniline
CID 43555241
4-chloro-3-fluoro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline
CID 43786115
3-chloro-5-fluoro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline
CID 107364132
2,6-dibromo-N-[4-(4-methoxyphenyl)butan-2-yl]aniline
CID 107597022
3,5-dichloro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline
CID 43760298
methyl 3-(5-bromo-2-fluoroanilino)butanoate
CID 43555616
4-[3-(2,5-dibromoanilino)butyl]phenol
CID 43736822
4-bromo-N-[1-(4-methoxyphenyl)propan-2-yl]-2-methylaniline
CID 43508695
1-(4-bromo-2-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]ethanamine
CID 82964700
1-(3-bromo-4-fluorophenyl)-4-(4-methoxyphenyl)butan-2-amine
CID 115818682
4-bromo-2-N-(4-phenylbutan-2-yl)benzene-1,2-diamine
CID 65342611

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline?
The IUPAC name of 5-bromo-2-fluoro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline (CID 43777522) is 5-bromo-2-fluoro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline.
What is the SMILES notation for 5-bromo-2-fluoro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline?
The canonical SMILES for 5-bromo-2-fluoro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline is COc1ccc(CCC(C)Nc2cc(Br)ccc2F)cc1.
What is the InChIKey of 5-bromo-2-fluoro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline?
The InChIKey is SYVKIANQADNUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFNO/c1-12(20-17-11-14(18)7-10-16(17)19)3-4-13-5-8-15(21-2)9-6-13/h5-12,20H,3-4H2,1-2H3.
What are the key properties of 5-bromo-2-fluoro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline?
5-bromo-2-fluoro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline has a molecular weight of 352.25 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline is sourced from PubChem (CID 43777522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).