N-[3-(1-aminoethyl)phenyl]-2-methylbenzamide

C16H18N2O — CID 16788845

IUPACN-[3-(1-aminoethyl)phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1cccc(C(C)N)c1
InChIInChI=1S/C16H18N2O/c1-11-6-3-4-9-15(11)16(19)18-14-8-5-7-13(10-14)12(2)17/h3-10,12H,17H2,1-2H3,(H,18,19)
InChIKeyVDONXNZKFZPJNK-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.27
Rot. Bonds3

About N-[3-(1-aminoethyl)phenyl]-2-methylbenzamide

N-[3-(1-aminoethyl)phenyl]-2-methylbenzamide (PubChem CID 16788845) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is N-[3-(1-aminoethyl)phenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-(1-aminoethyl)phenyl]-2-methylbenzamide
PubChem CID16788845
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC NameN-[3-(1-aminoethyl)phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1cccc(C(C)N)c1
InChIInChI=1S/C16H18N2O/c1-11-6-3-4-9-15(11)16(19)18-14-8-5-7-13(10-14)12(2)17/h3-10,12H,17H2,1-2H3,(H,18,19)
InChIKeyVDONXNZKFZPJNK-UHFFFAOYSA-N
XLogP3.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(1-aminoethyl)phenyl]-5-fluoro-2-methylbenzamide
CID 63048072
N-[3-(1-aminoethyl)phenyl]-2,3-difluorobenzamide
CID 62650803
2-methyl-N-[3-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 17197346
N-[3-(1-aminoethyl)phenyl]pyridine-2-carboxamide
CID 16785087
N-[3-(1-aminoethyl)phenyl]-3,5-dihydroxybenzamide
CID 107702970
1-[3-(1-aminoethyl)phenyl]-3-(2,3-dimethylphenyl)urea
CID 61342211
2,3-dimethyl-N-[3-[1-(methylamino)ethyl]phenyl]benzamide
CID 43507775
N-[3-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2-methylbenzamide
CID 42427396
2-methyl-N-(3-methylsulfanylphenyl)benzamide
CID 836481
N-[3-(1-aminoethyl)phenyl]-3-fluorobenzamide
CID 16792077
2-methyl-N-[3-(pentan-2-ylamino)phenyl]benzamide
CID 154320890
N-[4-(1-hydroxyethyl)phenyl]-2-methylbenzamide
CID 43417161

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-aminoethyl)phenyl]-2-methylbenzamide?
The IUPAC name of N-[3-(1-aminoethyl)phenyl]-2-methylbenzamide (CID 16788845) is N-[3-(1-aminoethyl)phenyl]-2-methylbenzamide.
What is the SMILES notation for N-[3-(1-aminoethyl)phenyl]-2-methylbenzamide?
The canonical SMILES for N-[3-(1-aminoethyl)phenyl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1cccc(C(C)N)c1.
What is the InChIKey of N-[3-(1-aminoethyl)phenyl]-2-methylbenzamide?
The InChIKey is VDONXNZKFZPJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-11-6-3-4-9-15(11)16(19)18-14-8-5-7-13(10-14)12(2)17/h3-10,12H,17H2,1-2H3,(H,18,19).
What are the key properties of N-[3-(1-aminoethyl)phenyl]-2-methylbenzamide?
N-[3-(1-aminoethyl)phenyl]-2-methylbenzamide has a molecular weight of 254.33 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-aminoethyl)phenyl]-2-methylbenzamide is sourced from PubChem (CID 16788845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).