2-(aminomethyl)-N-(3-bromophenyl)-N-methylbutanamide

C12H17BrN2O — CID 115186940

IUPAC2-(aminomethyl)-N-(3-bromophenyl)-N-methylbutanamide
SMILESCCC(CN)C(=O)N(C)c1cccc(Br)c1
InChIInChI=1S/C12H17BrN2O/c1-3-9(8-14)12(16)15(2)11-6-4-5-10(13)7-11/h4-7,9H,3,8,14H2,1-2H3
InChIKeySYJAJWNTNNYCOC-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.40
Rot. Bonds4

About 2-(aminomethyl)-N-(3-bromophenyl)-N-methylbutanamide

2-(aminomethyl)-N-(3-bromophenyl)-N-methylbutanamide (PubChem CID 115186940) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(3-bromophenyl)-N-methylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(3-bromophenyl)-N-methylbutanamide
PubChem CID115186940
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name2-(aminomethyl)-N-(3-bromophenyl)-N-methylbutanamide
SMILESCCC(CN)C(=O)N(C)c1cccc(Br)c1
InChIInChI=1S/C12H17BrN2O/c1-3-9(8-14)12(16)15(2)11-6-4-5-10(13)7-11/h4-7,9H,3,8,14H2,1-2H3
InChIKeySYJAJWNTNNYCOC-UHFFFAOYSA-N
XLogP2.40
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromophenyl)-2-hydroxy-N-methylpropanamide
CID 115140581
2-(aminomethyl)-N-(4-fluoro-3-methylphenyl)-N-methylbutanamide
CID 115186879
2-[(3-bromo-N-methylanilino)methyl]butanoic acid
CID 115249853
2-(aminomethyl)-N-(3-ethyl-4-methoxyphenyl)-N-methylbutanamide
CID 115186906
2-(aminomethyl)-N-(4-methoxy-3-methylphenyl)-N-methylbutanamide
CID 115186880
N-(3-bromophenyl)-N-methylcarbamoyl bromide
CID 115193496
2-[3-[2-ethylbutanoyl(methyl)amino]phenyl]acetic acid
CID 28759868
2-ethyl-N-(3-hydroxyphenyl)-N-methylhexanamide
CID 107735712
N-(3-bromophenyl)-N,2,2-trimethylpropanamide
CID 172560742
N-(3-bromophenyl)-N-methylprop-2-ynamide
CID 130659155
4-(3-bromo-N-methylanilino)-2-methyl-4-oxobutanoic acid
CID 115165040
2-[N-[2-(aminomethyl)butanoyl]anilino]acetic acid
CID 65229507

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(3-bromophenyl)-N-methylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-(3-bromophenyl)-N-methylbutanamide (CID 115186940) is 2-(aminomethyl)-N-(3-bromophenyl)-N-methylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(3-bromophenyl)-N-methylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-(3-bromophenyl)-N-methylbutanamide is CCC(CN)C(=O)N(C)c1cccc(Br)c1.
What is the InChIKey of 2-(aminomethyl)-N-(3-bromophenyl)-N-methylbutanamide?
The InChIKey is SYJAJWNTNNYCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-3-9(8-14)12(16)15(2)11-6-4-5-10(13)7-11/h4-7,9H,3,8,14H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-(3-bromophenyl)-N-methylbutanamide?
2-(aminomethyl)-N-(3-bromophenyl)-N-methylbutanamide has a molecular weight of 285.19 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(3-bromophenyl)-N-methylbutanamide is sourced from PubChem (CID 115186940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).