N-[[2-(aminomethyl)phenyl]methyl]-N,2-dimethyloxolane-3-carboxamide

C15H22N2O2 — CID 79750294

IUPACN-[[2-(aminomethyl)phenyl]methyl]-N,2-dimethyloxolane-3-carboxamide
SMILESCC1OCCC1C(=O)N(C)Cc1ccccc1CN
InChIInChI=1S/C15H22N2O2/c1-11-14(7-8-19-11)15(18)17(2)10-13-6-4-3-5-12(13)9-16/h3-6,11,14H,7-10,16H2,1-2H3
InChIKeyFTHWFJJOYOYVPN-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.53
Rot. Bonds4

About N-[[2-(aminomethyl)phenyl]methyl]-N,2-dimethyloxolane-3-carboxamide

N-[[2-(aminomethyl)phenyl]methyl]-N,2-dimethyloxolane-3-carboxamide (PubChem CID 79750294) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[[2-(aminomethyl)phenyl]methyl]-N,2-dimethyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(aminomethyl)phenyl]methyl]-N,2-dimethyloxolane-3-carboxamide
PubChem CID79750294
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[[2-(aminomethyl)phenyl]methyl]-N,2-dimethyloxolane-3-carboxamide
SMILESCC1OCCC1C(=O)N(C)Cc1ccccc1CN
InChIInChI=1S/C15H22N2O2/c1-11-14(7-8-19-11)15(18)17(2)10-13-6-4-3-5-12(13)9-16/h3-6,11,14H,7-10,16H2,1-2H3
InChIKeyFTHWFJJOYOYVPN-UHFFFAOYSA-N
XLogP1.53
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-(aminomethyl)phenyl]methyl]-N,2-dimethyloxolane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-(aminomethyl)phenyl]methyl]-N,2-dimethyloxolane-3-carboxamide
CID 79750370
N-[[2-(aminomethyl)phenyl]methyl]-N,5-dimethyloxolane-2-carboxamide
CID 81325003
2-[2-(aminomethyl)phenyl]-N-methyl-N-(2-methyloxolan-3-yl)acetamide
CID 82737840
N-[3-(aminomethyl)phenyl]-N,2-dimethyloxolane-3-carboxamide
CID 79751202
N-(3-aminopropyl)-2-methyl-N-phenyloxolane-3-carboxamide
CID 79750074
N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethyloxolane-3-carboxamide
CID 79760249
2-[methyl-(2-methyloxolane-3-carbonyl)amino]acetic acid
CID 79750680
N-(2-amino-2-sulfanylideneethyl)-N,2-dimethyloxolane-3-carboxamide
CID 79758470
N-[(2-aminophenyl)methyl]-N-methyloxolane-2-carboxamide
CID 43458438
(2S,3R)-N,2-dimethyl-N-[(1-methylbenzimidazol-2-yl)methyl]oxane-3-carboxamide
CID 129401690
2-(aminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82735715
[2-[(dimethylamino)methyl]phenyl]methanamine
CID 4962718

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-N,2-dimethyloxolane-3-carboxamide?
The IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-N,2-dimethyloxolane-3-carboxamide (CID 79750294) is N-[[2-(aminomethyl)phenyl]methyl]-N,2-dimethyloxolane-3-carboxamide.
What is the SMILES notation for N-[[2-(aminomethyl)phenyl]methyl]-N,2-dimethyloxolane-3-carboxamide?
The canonical SMILES for N-[[2-(aminomethyl)phenyl]methyl]-N,2-dimethyloxolane-3-carboxamide is CC1OCCC1C(=O)N(C)Cc1ccccc1CN.
What is the InChIKey of N-[[2-(aminomethyl)phenyl]methyl]-N,2-dimethyloxolane-3-carboxamide?
The InChIKey is FTHWFJJOYOYVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-14(7-8-19-11)15(18)17(2)10-13-6-4-3-5-12(13)9-16/h3-6,11,14H,7-10,16H2,1-2H3.
What are the key properties of N-[[2-(aminomethyl)phenyl]methyl]-N,2-dimethyloxolane-3-carboxamide?
N-[[2-(aminomethyl)phenyl]methyl]-N,2-dimethyloxolane-3-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)phenyl]methyl]-N,2-dimethyloxolane-3-carboxamide is sourced from PubChem (CID 79750294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).