4-[(R)-amino-(3-bromophenyl)methyl]-N,N-dimethylbenzamide

C16H17BrN2O — CID 129386216

IUPAC4-[(R)-amino-(3-bromophenyl)methyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc([C@@H](N)c2cccc(Br)c2)cc1
InChIInChI=1S/C16H17BrN2O/c1-19(2)16(20)12-8-6-11(7-9-12)15(18)13-4-3-5-14(17)10-13/h3-10,15H,18H2,1-2H3/t15-/m1/s1
InChIKeyRNEVSDKYOXNTCR-OAHLLOKOSA-N
MW333.23 g/mol
LogP3.20
Rot. Bonds3

About 4-[(R)-amino-(3-bromophenyl)methyl]-N,N-dimethylbenzamide

4-[(R)-amino-(3-bromophenyl)methyl]-N,N-dimethylbenzamide (PubChem CID 129386216) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is 4-[(R)-amino-(3-bromophenyl)methyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[(R)-amino-(3-bromophenyl)methyl]-N,N-dimethylbenzamide
PubChem CID129386216
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC Name4-[(R)-amino-(3-bromophenyl)methyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc([C@@H](N)c2cccc(Br)c2)cc1
InChIInChI=1S/C16H17BrN2O/c1-19(2)16(20)12-8-6-11(7-9-12)15(18)13-4-3-5-14(17)10-13/h3-10,15H,18H2,1-2H3/t15-/m1/s1
InChIKeyRNEVSDKYOXNTCR-OAHLLOKOSA-N
XLogP3.20
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[amino-(4-ethylphenyl)methyl]-N,N-dimethylbenzamide
CID 66820082
3-(1-aminoethyl)-N,N-dimethylbenzamide
CID 70320648
N,N-dimethyl-4-[(1R)-1-phenylethyl]benzamide
CID 134961348
4-[(3-bromophenyl)methylamino]-N,N-dimethylbenzamide
CID 43230444
(2R)-2-amino-2-(3-bromophenyl)acetic acid
CID 7033009
(3-bromophenyl)-(3-methoxyphenyl)methanamine
CID 59671726
2-[amino-(3-bromophenyl)methyl]-3-methylbutanoic acid
CID 116945232
4-amino-N-(3-bromophenyl)-N-methylbenzamide
CID 82094901
3-[(3-bromophenyl)-(dimethylamino)methyl]benzoic acid
CID 116908426
4-[amino-(4-bromophenyl)methyl]benzoic acid
CID 116938745
3-(3-bromophenyl)-2-methylbutanoic acid
CID 130820149
2,3-diamino-3-(3-bromophenyl)propanoic acid
CID 116942287

Frequently Asked Questions

What is the IUPAC name of 4-[(R)-amino-(3-bromophenyl)methyl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[(R)-amino-(3-bromophenyl)methyl]-N,N-dimethylbenzamide (CID 129386216) is 4-[(R)-amino-(3-bromophenyl)methyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[(R)-amino-(3-bromophenyl)methyl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[(R)-amino-(3-bromophenyl)methyl]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc([C@@H](N)c2cccc(Br)c2)cc1.
What is the InChIKey of 4-[(R)-amino-(3-bromophenyl)methyl]-N,N-dimethylbenzamide?
The InChIKey is RNEVSDKYOXNTCR-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-19(2)16(20)12-8-6-11(7-9-12)15(18)13-4-3-5-14(17)10-13/h3-10,15H,18H2,1-2H3/t15-/m1/s1.
What are the key properties of 4-[(R)-amino-(3-bromophenyl)methyl]-N,N-dimethylbenzamide?
4-[(R)-amino-(3-bromophenyl)methyl]-N,N-dimethylbenzamide has a molecular weight of 333.23 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(R)-amino-(3-bromophenyl)methyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 129386216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).