2-[[(5-bromo-2-methylphenyl)-cyclohexylmethyl]amino]propanamide;methane

C18H29BrN2O — CID 142608750

IUPAC2-[[(5-bromo-2-methylphenyl)-cyclohexylmethyl]amino]propanamide;methane
SMILESC.Cc1ccc(Br)cc1C(NC(C)C(N)=O)C1CCCCC1
InChIInChI=1S/C17H25BrN2O.CH4/c1-11-8-9-14(18)10-15(11)16(20-12(2)17(19)21)13-6-4-3-5-7-13;/h8-10,12-13,16,20H,3-7H2,1-2H3,(H2,19,21);1H4
InChIKeyLUGIJURDBGFIBH-UHFFFAOYSA-N
MW369.35 g/mol
LogP4.48
Rot. Bonds5

About 2-[[(5-bromo-2-methylphenyl)-cyclohexylmethyl]amino]propanamide;methane

2-[[(5-bromo-2-methylphenyl)-cyclohexylmethyl]amino]propanamide;methane (PubChem CID 142608750) has the molecular formula C18H29BrN2O and a molecular weight of 369.35 g/mol. Its IUPAC name is 2-[[(5-bromo-2-methylphenyl)-cyclohexylmethyl]amino]propanamide;methane.

Molecular Properties

Compound Name2-[[(5-bromo-2-methylphenyl)-cyclohexylmethyl]amino]propanamide;methane
PubChem CID142608750
Molecular FormulaC18H29BrN2O
Molecular Weight369.35 g/mol
Exact Mass368.15
IUPAC Name2-[[(5-bromo-2-methylphenyl)-cyclohexylmethyl]amino]propanamide;methane
SMILESC.Cc1ccc(Br)cc1C(NC(C)C(N)=O)C1CCCCC1
InChIInChI=1S/C17H25BrN2O.CH4/c1-11-8-9-14(18)10-15(11)16(20-12(2)17(19)21)13-6-4-3-5-7-13;/h8-10,12-13,16,20H,3-7H2,1-2H3,(H2,19,21);1H4
InChIKeyLUGIJURDBGFIBH-UHFFFAOYSA-N
XLogP4.48
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-(5-bromo-2-methylphenyl)-cyclopentylmethanamine;hydrochloride
CID 171203860
[cyclohexyl-(2,5-dimethylphenyl)methyl]hydrazine
CID 105201807
5-bromo-N-(1-cyclohexylethyl)-2-methylbenzamide
CID 65309722
1-(4-bromo-2-methylphenyl)-1-cyclohexyl-N-methylmethanamine
CID 114980955
1-(5-bromo-2-methylphenyl)-2-cyclohexylethanamine
CID 115842257
[(5-bromo-2-methylphenyl)-(oxan-3-yl)methyl]hydrazine
CID 107139910
4-bromo-N-(1-cyclopentylethyl)-2-methylaniline
CID 63418980
2-[(5-bromo-2-methylphenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid
CID 116953849
N-(1-amino-1-oxopropan-2-yl)-5-bromo-2-methylbenzamide
CID 65307034
1-(5-bromo-2-methylphenyl)ethanamine
CID 82647898
2-(5-bromo-2-methoxyphenyl)-2-(cyclopentylamino)acetamide
CID 54894280
1-(5-bromo-2-methylphenyl)-N-methyl-1-piperidin-2-ylmethanamine
CID 116951206

Frequently Asked Questions

What is the IUPAC name of 2-[[(5-bromo-2-methylphenyl)-cyclohexylmethyl]amino]propanamide;methane?
The IUPAC name of 2-[[(5-bromo-2-methylphenyl)-cyclohexylmethyl]amino]propanamide;methane (CID 142608750) is 2-[[(5-bromo-2-methylphenyl)-cyclohexylmethyl]amino]propanamide;methane.
What is the SMILES notation for 2-[[(5-bromo-2-methylphenyl)-cyclohexylmethyl]amino]propanamide;methane?
The canonical SMILES for 2-[[(5-bromo-2-methylphenyl)-cyclohexylmethyl]amino]propanamide;methane is C.Cc1ccc(Br)cc1C(NC(C)C(N)=O)C1CCCCC1.
What is the InChIKey of 2-[[(5-bromo-2-methylphenyl)-cyclohexylmethyl]amino]propanamide;methane?
The InChIKey is LUGIJURDBGFIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O.CH4/c1-11-8-9-14(18)10-15(11)16(20-12(2)17(19)21)13-6-4-3-5-7-13;/h8-10,12-13,16,20H,3-7H2,1-2H3,(H2,19,21);1H4.
What are the key properties of 2-[[(5-bromo-2-methylphenyl)-cyclohexylmethyl]amino]propanamide;methane?
2-[[(5-bromo-2-methylphenyl)-cyclohexylmethyl]amino]propanamide;methane has a molecular weight of 369.35 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5-bromo-2-methylphenyl)-cyclohexylmethyl]amino]propanamide;methane is sourced from PubChem (CID 142608750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).