N-[3-(aminomethyl)phenyl]-4-ethylbenzamide

C16H18N2O — CID 18072148

IUPACN-[3-(aminomethyl)phenyl]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2cccc(CN)c2)cc1
InChIInChI=1S/C16H18N2O/c1-2-12-6-8-14(9-7-12)16(19)18-15-5-3-4-13(10-15)11-17/h3-10H,2,11,17H2,1H3,(H,18,19)
InChIKeyGBEVVTMAMSJUPQ-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.96
Rot. Bonds4

About N-[3-(aminomethyl)phenyl]-4-ethylbenzamide

N-[3-(aminomethyl)phenyl]-4-ethylbenzamide (PubChem CID 18072148) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-4-ethylbenzamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-4-ethylbenzamide
PubChem CID18072148
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC NameN-[3-(aminomethyl)phenyl]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2cccc(CN)c2)cc1
InChIInChI=1S/C16H18N2O/c1-2-12-6-8-14(9-7-12)16(19)18-15-5-3-4-13(10-15)11-17/h3-10H,2,11,17H2,1H3,(H,18,19)
InChIKeyGBEVVTMAMSJUPQ-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-N-[3-(methylaminomethyl)phenyl]benzamide
CID 43601942
N-(3-benzamidophenyl)-4-ethylbenzamide
CID 17102471
N-[3-(aminomethyl)phenyl]-4-butoxybenzamide
CID 24692929
1-N,3-N,5-N-tris(3-ethylphenyl)benzene-1,3,5-tricarboxamide
CID 67992311
4-[(carbamoylamino)methyl]-N-(3-ethylphenyl)benzamide
CID 29352763
methyl 4-[(3-ethylphenyl)carbamoyl]benzoate
CID 7935129
1-[3-(aminomethyl)phenyl]-3-[(4-ethylphenyl)methyl]urea
CID 106900402
4-[(diaminomethylideneamino)methyl]-N-(3-ethylphenyl)benzamide
CID 70420716
N-[3-(aminomethyl)phenyl]-3,4-diethoxybenzamide
CID 16778324
N-[3-(aminomethyl)phenyl]-4-nitrobenzamide
CID 63254682
2-[4-(aminomethyl)phenyl]-N-(3-ethylphenyl)acetamide
CID 63589585
N-[3-(2-aminoethoxy)phenyl]-4-ethylbenzamide
CID 43369477

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-4-ethylbenzamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-4-ethylbenzamide (CID 18072148) is N-[3-(aminomethyl)phenyl]-4-ethylbenzamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-4-ethylbenzamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-4-ethylbenzamide is CCc1ccc(C(=O)Nc2cccc(CN)c2)cc1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-4-ethylbenzamide?
The InChIKey is GBEVVTMAMSJUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-2-12-6-8-14(9-7-12)16(19)18-15-5-3-4-13(10-15)11-17/h3-10H,2,11,17H2,1H3,(H,18,19).
What are the key properties of N-[3-(aminomethyl)phenyl]-4-ethylbenzamide?
N-[3-(aminomethyl)phenyl]-4-ethylbenzamide has a molecular weight of 254.33 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-4-ethylbenzamide is sourced from PubChem (CID 18072148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).