N-(2-aminoethyl)-5-bromo-2-methyl-N-(2-phenylethyl)benzamide

C18H21BrN2O — CID 120884508

IUPACN-(2-aminoethyl)-5-bromo-2-methyl-N-(2-phenylethyl)benzamide
SMILESCc1ccc(Br)cc1C(=O)N(CCN)CCc1ccccc1
InChIInChI=1S/C18H21BrN2O/c1-14-7-8-16(19)13-17(14)18(22)21(12-10-20)11-9-15-5-3-2-4-6-15/h2-8,13H,9-12,20H2,1H3
InChIKeyHTKVEBPQSXLQJC-UHFFFAOYSA-N
MW361.28 g/mol
LogP3.40
Rot. Bonds6

About N-(2-aminoethyl)-5-bromo-2-methyl-N-(2-phenylethyl)benzamide

N-(2-aminoethyl)-5-bromo-2-methyl-N-(2-phenylethyl)benzamide (PubChem CID 120884508) has the molecular formula C18H21BrN2O and a molecular weight of 361.28 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-bromo-2-methyl-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-5-bromo-2-methyl-N-(2-phenylethyl)benzamide
PubChem CID120884508
Molecular FormulaC18H21BrN2O
Molecular Weight361.28 g/mol
Exact Mass360.08
IUPAC NameN-(2-aminoethyl)-5-bromo-2-methyl-N-(2-phenylethyl)benzamide
SMILESCc1ccc(Br)cc1C(=O)N(CCN)CCc1ccccc1
InChIInChI=1S/C18H21BrN2O/c1-14-7-8-16(19)13-17(14)18(22)21(12-10-20)11-9-15-5-3-2-4-6-15/h2-8,13H,9-12,20H2,1H3
InChIKeyHTKVEBPQSXLQJC-UHFFFAOYSA-N
XLogP3.40
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.28
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminoethyl)-2-methyl-5-methylsulfanyl-N-(2-phenylethyl)benzamide;hydrochloride
CID 120884347
N-(2-aminoethyl)-2-methyl-5-methylsulfonyl-N-(2-phenylethyl)benzamide;hydrochloride
CID 120884373
N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)furan-3-carboxamide;hydrochloride
CID 120886169
N-(2-aminoethyl)-4-bromo-N-(2-phenylethyl)thiophene-2-carboxamide
CID 120886632
N-benzyl-5-bromo-N-(2-chloroethyl)-2-methylbenzamide
CID 65309508
5-bromo-N,N-bis(2-hydroxyethyl)-2-methylbenzamide
CID 65311466
N-(2-aminoethyl)-3-methyl-N-(2-phenylethyl)furan-2-carboxamide;hydrochloride
CID 120885291
N-(2-aminoethyl)-N-benzyl-5-fluoro-2-methylbenzamide
CID 63047882
N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)-1-propan-2-ylpyrrole-3-carboxamide;hydrochloride
CID 120885313
N-(3-amino-3-oxopropyl)-5-bromo-2-ethoxy-N-(2-phenylethyl)benzamide
CID 54789789
N-(2-aminoethyl)-2-chloro-5-methylsulfanyl-N-(2-phenylethyl)benzamide
CID 120886368
N-(3-amino-3-oxopropyl)-5-bromo-N-(2-phenylethyl)-2-propan-2-yloxybenzamide
CID 54789497

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-5-bromo-2-methyl-N-(2-phenylethyl)benzamide?
The IUPAC name of N-(2-aminoethyl)-5-bromo-2-methyl-N-(2-phenylethyl)benzamide (CID 120884508) is N-(2-aminoethyl)-5-bromo-2-methyl-N-(2-phenylethyl)benzamide.
What is the SMILES notation for N-(2-aminoethyl)-5-bromo-2-methyl-N-(2-phenylethyl)benzamide?
The canonical SMILES for N-(2-aminoethyl)-5-bromo-2-methyl-N-(2-phenylethyl)benzamide is Cc1ccc(Br)cc1C(=O)N(CCN)CCc1ccccc1.
What is the InChIKey of N-(2-aminoethyl)-5-bromo-2-methyl-N-(2-phenylethyl)benzamide?
The InChIKey is HTKVEBPQSXLQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O/c1-14-7-8-16(19)13-17(14)18(22)21(12-10-20)11-9-15-5-3-2-4-6-15/h2-8,13H,9-12,20H2,1H3.
What are the key properties of N-(2-aminoethyl)-5-bromo-2-methyl-N-(2-phenylethyl)benzamide?
N-(2-aminoethyl)-5-bromo-2-methyl-N-(2-phenylethyl)benzamide has a molecular weight of 361.28 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-5-bromo-2-methyl-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 120884508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).