N-[[3-(aminomethyl)phenyl]methyl]-N-methyloxane-3-carboxamide

C15H22N2O2 — CID 55149191

IUPACN-[[3-(aminomethyl)phenyl]methyl]-N-methyloxane-3-carboxamide
SMILESCN(Cc1cccc(CN)c1)C(=O)C1CCCOC1
InChIInChI=1S/C15H22N2O2/c1-17(15(18)14-6-3-7-19-11-14)10-13-5-2-4-12(8-13)9-16/h2,4-5,8,14H,3,6-7,9-11,16H2,1H3
InChIKeyKISXFSVXQVUHPB-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.53
Rot. Bonds4

About N-[[3-(aminomethyl)phenyl]methyl]-N-methyloxane-3-carboxamide

N-[[3-(aminomethyl)phenyl]methyl]-N-methyloxane-3-carboxamide (PubChem CID 55149191) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[[3-(aminomethyl)phenyl]methyl]-N-methyloxane-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(aminomethyl)phenyl]methyl]-N-methyloxane-3-carboxamide
PubChem CID55149191
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[[3-(aminomethyl)phenyl]methyl]-N-methyloxane-3-carboxamide
SMILESCN(Cc1cccc(CN)c1)C(=O)C1CCCOC1
InChIInChI=1S/C15H22N2O2/c1-17(15(18)14-6-3-7-19-11-14)10-13-5-2-4-12(8-13)9-16/h2,4-5,8,14H,3,6-7,9-11,16H2,1H3
InChIKeyKISXFSVXQVUHPB-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

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Related Compounds

N-[(3-carbamothioylphenyl)methyl]-N-methyloxolane-3-carboxamide
CID 55141744
N-[[4-(aminomethyl)phenyl]methyl]-N-methylcyclopentanecarboxamide
CID 54939453
3-[3-[[methyl(oxolane-3-carbonyl)amino]methyl]phenyl]prop-2-enoic acid
CID 76907362
N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-3-(oxolan-2-yl)propanamide
CID 65152460
(3R)-N-methyl-N-[(3-propan-2-yloxyphenyl)methyl]oxolane-3-carboxamide
CID 97244220
N-[(3-aminophenyl)methyl]-N-cyclopropyloxane-3-carboxamide
CID 63011151
N-[[4-(aminomethyl)phenyl]methyl]-N-methylcyclooctanecarboxamide
CID 65019365
N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]oxolane-3-carboxamide
CID 70740916
N-[(5-amino-2-chlorophenyl)methyl]-N-methyloxane-3-carboxamide
CID 63010284
N-benzyl-N-propan-2-yloxane-3-carboxamide
CID 110855554
N-methyl-N-(2-pyridin-4-ylethyl)oxane-3-carboxamide
CID 110852657
N-[(3-carbamothioylphenyl)methyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 62967037

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-N-methyloxane-3-carboxamide?
The IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-N-methyloxane-3-carboxamide (CID 55149191) is N-[[3-(aminomethyl)phenyl]methyl]-N-methyloxane-3-carboxamide.
What is the SMILES notation for N-[[3-(aminomethyl)phenyl]methyl]-N-methyloxane-3-carboxamide?
The canonical SMILES for N-[[3-(aminomethyl)phenyl]methyl]-N-methyloxane-3-carboxamide is CN(Cc1cccc(CN)c1)C(=O)C1CCCOC1.
What is the InChIKey of N-[[3-(aminomethyl)phenyl]methyl]-N-methyloxane-3-carboxamide?
The InChIKey is KISXFSVXQVUHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-17(15(18)14-6-3-7-19-11-14)10-13-5-2-4-12(8-13)9-16/h2,4-5,8,14H,3,6-7,9-11,16H2,1H3.
What are the key properties of N-[[3-(aminomethyl)phenyl]methyl]-N-methyloxane-3-carboxamide?
N-[[3-(aminomethyl)phenyl]methyl]-N-methyloxane-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-[[3-(aminomethyl)phenyl]methyl]-N-methyloxane-3-carboxamide is sourced from PubChem (CID 55149191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).