3-bromo-5-chloro-2-(difluoromethoxy)-N-(5-methylheptan-3-yl)aniline

C15H21BrClF2NO — CID 63432835

IUPAC3-bromo-5-chloro-2-(difluoromethoxy)-N-(5-methylheptan-3-yl)aniline
SMILESCCC(C)CC(CC)Nc1cc(Cl)cc(Br)c1OC(F)F
InChIInChI=1S/C15H21BrClF2NO/c1-4-9(3)6-11(5-2)20-13-8-10(17)7-12(16)14(13)21-15(18)19/h7-9,11,15,20H,4-6H2,1-3H3
InChIKeyGDIPZWKWBCCBLL-UHFFFAOYSA-N
MW384.69 g/mol
LogP6.33
Rot. Bonds8

About 3-bromo-5-chloro-2-(difluoromethoxy)-N-(5-methylheptan-3-yl)aniline

3-bromo-5-chloro-2-(difluoromethoxy)-N-(5-methylheptan-3-yl)aniline (PubChem CID 63432835) has the molecular formula C15H21BrClF2NO and a molecular weight of 384.69 g/mol. Its IUPAC name is 3-bromo-5-chloro-2-(difluoromethoxy)-N-(5-methylheptan-3-yl)aniline.

Molecular Properties

Compound Name3-bromo-5-chloro-2-(difluoromethoxy)-N-(5-methylheptan-3-yl)aniline
PubChem CID63432835
Molecular FormulaC15H21BrClF2NO
Molecular Weight384.69 g/mol
Exact Mass383.05
IUPAC Name3-bromo-5-chloro-2-(difluoromethoxy)-N-(5-methylheptan-3-yl)aniline
SMILESCCC(C)CC(CC)Nc1cc(Cl)cc(Br)c1OC(F)F
InChIInChI=1S/C15H21BrClF2NO/c1-4-9(3)6-11(5-2)20-13-8-10(17)7-12(16)14(13)21-15(18)19/h7-9,11,15,20H,4-6H2,1-3H3
InChIKeyGDIPZWKWBCCBLL-UHFFFAOYSA-N
XLogP6.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.69
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-5-chloro-2-(difluoromethoxy)-N-heptan-3-ylaniline
CID 63947321
3-bromo-5-chloro-2-(difluoromethoxy)-N-(2-methylpentan-3-yl)aniline
CID 43782728
3-bromo-5-chloro-2-(difluoromethoxy)-N-(1-thiophen-2-ylethyl)aniline
CID 43691085
2-bromo-5-chloro-4-methyl-N-(5-methylheptan-3-yl)aniline
CID 104722479
3-bromo-5-chloro-2-(difluoromethoxy)-N-hexylaniline
CID 43691032
2-bromo-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]propanamide
CID 107903695
3-[3-bromo-5-chloro-2-(difluoromethoxy)anilino]-2,2-dimethylpropan-1-ol
CID 81411115
3-amino-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]butanamide
CID 60836516
N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-chloroacetamide
CID 43698111
3-bromo-5-chloro-2-(difluoromethoxy)-N-(1H-pyrazol-5-ylmethyl)aniline
CID 43691103
3-bromo-5-chloro-2-(difluoromethoxy)-N-(oxan-4-ylmethyl)aniline
CID 62386858
2,4,6-tribromo-N-(5-methylheptan-3-yl)aniline
CID 55197881

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-2-(difluoromethoxy)-N-(5-methylheptan-3-yl)aniline?
The IUPAC name of 3-bromo-5-chloro-2-(difluoromethoxy)-N-(5-methylheptan-3-yl)aniline (CID 63432835) is 3-bromo-5-chloro-2-(difluoromethoxy)-N-(5-methylheptan-3-yl)aniline.
What is the SMILES notation for 3-bromo-5-chloro-2-(difluoromethoxy)-N-(5-methylheptan-3-yl)aniline?
The canonical SMILES for 3-bromo-5-chloro-2-(difluoromethoxy)-N-(5-methylheptan-3-yl)aniline is CCC(C)CC(CC)Nc1cc(Cl)cc(Br)c1OC(F)F.
What is the InChIKey of 3-bromo-5-chloro-2-(difluoromethoxy)-N-(5-methylheptan-3-yl)aniline?
The InChIKey is GDIPZWKWBCCBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrClF2NO/c1-4-9(3)6-11(5-2)20-13-8-10(17)7-12(16)14(13)21-15(18)19/h7-9,11,15,20H,4-6H2,1-3H3.
What are the key properties of 3-bromo-5-chloro-2-(difluoromethoxy)-N-(5-methylheptan-3-yl)aniline?
3-bromo-5-chloro-2-(difluoromethoxy)-N-(5-methylheptan-3-yl)aniline has a molecular weight of 384.69 g/mol, XLogP of 6.33, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-2-(difluoromethoxy)-N-(5-methylheptan-3-yl)aniline is sourced from PubChem (CID 63432835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).