N-(1-aminohexan-2-yl)-2-bromo-5-methylbenzamide

C14H21BrN2O — CID 81112560

IUPACN-(1-aminohexan-2-yl)-2-bromo-5-methylbenzamide
SMILESCCCCC(CN)NC(=O)c1cc(C)ccc1Br
InChIInChI=1S/C14H21BrN2O/c1-3-4-5-11(9-16)17-14(18)12-8-10(2)6-7-13(12)15/h6-8,11H,3-5,9,16H2,1-2H3,(H,17,18)
InChIKeyYLFXGIRGCAXHSH-UHFFFAOYSA-N
MW313.24 g/mol
LogP3.00
Rot. Bonds6

About N-(1-aminohexan-2-yl)-2-bromo-5-methylbenzamide

N-(1-aminohexan-2-yl)-2-bromo-5-methylbenzamide (PubChem CID 81112560) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-2-bromo-5-methylbenzamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-2-bromo-5-methylbenzamide
PubChem CID81112560
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC NameN-(1-aminohexan-2-yl)-2-bromo-5-methylbenzamide
SMILESCCCCC(CN)NC(=O)c1cc(C)ccc1Br
InChIInChI=1S/C14H21BrN2O/c1-3-4-5-11(9-16)17-14(18)12-8-10(2)6-7-13(12)15/h6-8,11H,3-5,9,16H2,1-2H3,(H,17,18)
InChIKeyYLFXGIRGCAXHSH-UHFFFAOYSA-N
XLogP3.00
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-aminobutan-2-yl)-2-bromo-5-methylbenzamide
CID 81111665
2-amino-5-methyl-N-octan-4-ylbenzamide
CID 106021787
5-amino-2-bromo-N-octan-4-ylbenzamide
CID 106021624
2-amino-N-(1-aminohexan-2-yl)benzamide
CID 122080973
N-(1-amino-3-methylbutan-2-yl)-2-bromo-5-methylbenzamide
CID 81111788
N-(1-aminohexan-2-yl)-3-methylbenzamide;hydrochloride
CID 119667380
2-bromo-N-(2-ethylhexyl)-5-methylbenzamide
CID 81109580
N-(1-aminohexan-2-yl)-3,5-dimethylbenzamide
CID 80697654
2-amino-4-methyl-N-octan-4-ylbenzamide
CID 106027828
N-(1-aminohexan-2-yl)-2-methyl-1H-pyrrole-3-carboxamide
CID 119668324
5-methyl-2-(methylamino)-N-octan-4-ylbenzamide
CID 106027859
N-(1-aminohexan-2-yl)-2,4-difluorobenzamide
CID 80698461

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-2-bromo-5-methylbenzamide?
The IUPAC name of N-(1-aminohexan-2-yl)-2-bromo-5-methylbenzamide (CID 81112560) is N-(1-aminohexan-2-yl)-2-bromo-5-methylbenzamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-2-bromo-5-methylbenzamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-2-bromo-5-methylbenzamide is CCCCC(CN)NC(=O)c1cc(C)ccc1Br.
What is the InChIKey of N-(1-aminohexan-2-yl)-2-bromo-5-methylbenzamide?
The InChIKey is YLFXGIRGCAXHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-3-4-5-11(9-16)17-14(18)12-8-10(2)6-7-13(12)15/h6-8,11H,3-5,9,16H2,1-2H3,(H,17,18).
What are the key properties of N-(1-aminohexan-2-yl)-2-bromo-5-methylbenzamide?
N-(1-aminohexan-2-yl)-2-bromo-5-methylbenzamide has a molecular weight of 313.24 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-2-bromo-5-methylbenzamide is sourced from PubChem (CID 81112560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).