N-[4-(2-aminoethyl)phenyl]-2-methylbenzamide

C16H18N2O — CID 28754496

IUPACN-[4-(2-aminoethyl)phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(CCN)cc1
InChIInChI=1S/C16H18N2O/c1-12-4-2-3-5-15(12)16(19)18-14-8-6-13(7-9-14)10-11-17/h2-9H,10-11,17H2,1H3,(H,18,19)
InChIKeyRTESJDHDQFXQOE-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.75
Rot. Bonds4

About N-[4-(2-aminoethyl)phenyl]-2-methylbenzamide

N-[4-(2-aminoethyl)phenyl]-2-methylbenzamide (PubChem CID 28754496) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is N-[4-(2-aminoethyl)phenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-(2-aminoethyl)phenyl]-2-methylbenzamide
PubChem CID28754496
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC NameN-[4-(2-aminoethyl)phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(CCN)cc1
InChIInChI=1S/C16H18N2O/c1-12-4-2-3-5-15(12)16(19)18-14-8-6-13(7-9-14)10-11-17/h2-9H,10-11,17H2,1H3,(H,18,19)
InChIKeyRTESJDHDQFXQOE-UHFFFAOYSA-N
XLogP2.75
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(3-aminopropyl)phenyl]-2-methylbenzamide
CID 28754642
N-[4-(2-aminoethyl)phenyl]-2-hydroxybenzamide
CID 62303022
N-[4-(2-aminoethyl)phenyl]-2,4-dimethylbenzamide
CID 62302184
N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-2-methylbenzamide
CID 46760313
N-[4-(2-aminoethoxy)phenyl]-2-methylbenzamide
CID 28754762
2-methyl-N-(4-sulfanylphenyl)benzamide
CID 143459352
N-[4-(3-aminoprop-1-ynyl)phenyl]-2-methylbenzamide
CID 60803408
N-[4-(2-aminoethyl)phenyl]-4-methylbenzamide
CID 28754500
2-hydroxy-N-[4-(2-hydroxyethyl)phenyl]-3-methylbenzamide
CID 61223601
N-[4-(2-hydroxyethyl)phenyl]-2,3-dimethylbenzamide
CID 61222500
4-[(2-methylbenzoyl)amino]benzoic acid
CID 11615814
N-(4-carbamothioylphenyl)-2-methylbenzamide
CID 24709642

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminoethyl)phenyl]-2-methylbenzamide?
The IUPAC name of N-[4-(2-aminoethyl)phenyl]-2-methylbenzamide (CID 28754496) is N-[4-(2-aminoethyl)phenyl]-2-methylbenzamide.
What is the SMILES notation for N-[4-(2-aminoethyl)phenyl]-2-methylbenzamide?
The canonical SMILES for N-[4-(2-aminoethyl)phenyl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1ccc(CCN)cc1.
What is the InChIKey of N-[4-(2-aminoethyl)phenyl]-2-methylbenzamide?
The InChIKey is RTESJDHDQFXQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-12-4-2-3-5-15(12)16(19)18-14-8-6-13(7-9-14)10-11-17/h2-9H,10-11,17H2,1H3,(H,18,19).
What are the key properties of N-[4-(2-aminoethyl)phenyl]-2-methylbenzamide?
N-[4-(2-aminoethyl)phenyl]-2-methylbenzamide has a molecular weight of 254.33 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminoethyl)phenyl]-2-methylbenzamide is sourced from PubChem (CID 28754496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).