4-(2-aminoethoxy)-N-[4-(aminomethyl)phenyl]-3,5-dimethylbenzamide

C18H23N3O2 — CID 143492214

IUPAC4-(2-aminoethoxy)-N-[4-(aminomethyl)phenyl]-3,5-dimethylbenzamide
SMILESCc1cc(C(=O)Nc2ccc(CN)cc2)cc(C)c1OCCN
InChIInChI=1S/C18H23N3O2/c1-12-9-15(10-13(2)17(12)23-8-7-19)18(22)21-16-5-3-14(11-20)4-6-16/h3-6,9-10H,7-8,11,19-20H2,1-2H3,(H,21,22)
InChIKeyUQUNPQHOGIYFBS-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.35
Rot. Bonds6

About 4-(2-aminoethoxy)-N-[4-(aminomethyl)phenyl]-3,5-dimethylbenzamide

4-(2-aminoethoxy)-N-[4-(aminomethyl)phenyl]-3,5-dimethylbenzamide (PubChem CID 143492214) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-(2-aminoethoxy)-N-[4-(aminomethyl)phenyl]-3,5-dimethylbenzamide.

Molecular Properties

Compound Name4-(2-aminoethoxy)-N-[4-(aminomethyl)phenyl]-3,5-dimethylbenzamide
PubChem CID143492214
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name4-(2-aminoethoxy)-N-[4-(aminomethyl)phenyl]-3,5-dimethylbenzamide
SMILESCc1cc(C(=O)Nc2ccc(CN)cc2)cc(C)c1OCCN
InChIInChI=1S/C18H23N3O2/c1-12-9-15(10-13(2)17(12)23-8-7-19)18(22)21-16-5-3-14(11-20)4-6-16/h3-6,9-10H,7-8,11,19-20H2,1-2H3,(H,21,22)
InChIKeyUQUNPQHOGIYFBS-UHFFFAOYSA-N
XLogP2.35
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-aminoethoxy)phenyl]-3,5-dimethylbenzamide
CID 43369278
N-[4-(aminomethyl)phenyl]-3,4-dimethoxybenzamide
CID 16793219
4-(aminomethyl)-N-(4-aminophenyl)benzamide
CID 90103909
4-(aminomethyl)-N-[4-(3-methylbutoxy)phenyl]benzamide
CID 119331702
4-(aminomethyl)-N-(3,4-dipropoxyphenyl)benzamide
CID 119265999
N-[3-(2-aminoethoxy)phenyl]-4-ethylbenzamide
CID 43369477
4-(aminomethyl)-N-(4-ethoxy-3-fluorophenyl)benzamide
CID 115733832
N-[4-(aminomethyl)phenyl]-2-chloro-5-fluoro-4-methylbenzamide
CID 117044896
methyl 3-[4-[[4-(aminomethyl)benzoyl]amino]phenyl]propanoate;hydrochloride
CID 22362448
N-[4-(2-aminoethoxy)phenyl]-2-methylbenzamide
CID 28754762
4-(aminomethyl)-N-(2,4,5-trimethylphenyl)benzamide
CID 115161218
N-[4-(hydroxymethyl)phenyl]-3,4-dimethylbenzamide
CID 64793175

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethoxy)-N-[4-(aminomethyl)phenyl]-3,5-dimethylbenzamide?
The IUPAC name of 4-(2-aminoethoxy)-N-[4-(aminomethyl)phenyl]-3,5-dimethylbenzamide (CID 143492214) is 4-(2-aminoethoxy)-N-[4-(aminomethyl)phenyl]-3,5-dimethylbenzamide.
What is the SMILES notation for 4-(2-aminoethoxy)-N-[4-(aminomethyl)phenyl]-3,5-dimethylbenzamide?
The canonical SMILES for 4-(2-aminoethoxy)-N-[4-(aminomethyl)phenyl]-3,5-dimethylbenzamide is Cc1cc(C(=O)Nc2ccc(CN)cc2)cc(C)c1OCCN.
What is the InChIKey of 4-(2-aminoethoxy)-N-[4-(aminomethyl)phenyl]-3,5-dimethylbenzamide?
The InChIKey is UQUNPQHOGIYFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-12-9-15(10-13(2)17(12)23-8-7-19)18(22)21-16-5-3-14(11-20)4-6-16/h3-6,9-10H,7-8,11,19-20H2,1-2H3,(H,21,22).
What are the key properties of 4-(2-aminoethoxy)-N-[4-(aminomethyl)phenyl]-3,5-dimethylbenzamide?
4-(2-aminoethoxy)-N-[4-(aminomethyl)phenyl]-3,5-dimethylbenzamide has a molecular weight of 313.40 g/mol, XLogP of 2.35, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethoxy)-N-[4-(aminomethyl)phenyl]-3,5-dimethylbenzamide is sourced from PubChem (CID 143492214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).