N-[[2-(aminomethyl)phenyl]methyl]-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide

C19H22N2O2 — CID 166298512

IUPACN-[[2-(aminomethyl)phenyl]methyl]-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide
SMILESCc1ccc2c(c1)CCC(C(=O)NCc1ccccc1CN)O2
InChIInChI=1S/C19H22N2O2/c1-13-6-8-17-14(10-13)7-9-18(23-17)19(22)21-12-16-5-3-2-4-15(16)11-20/h2-6,8,10,18H,7,9,11-12,20H2,1H3,(H,21,22)
InChIKeyTYKNBTHEZOREKH-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.46
Rot. Bonds4

About N-[[2-(aminomethyl)phenyl]methyl]-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide

N-[[2-(aminomethyl)phenyl]methyl]-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide (PubChem CID 166298512) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[[2-(aminomethyl)phenyl]methyl]-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(aminomethyl)phenyl]methyl]-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide
PubChem CID166298512
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-[[2-(aminomethyl)phenyl]methyl]-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide
SMILESCc1ccc2c(c1)CCC(C(=O)NCc1ccccc1CN)O2
InChIInChI=1S/C19H22N2O2/c1-13-6-8-17-14(10-13)7-9-18(23-17)19(22)21-12-16-5-3-2-4-15(16)11-20/h2-6,8,10,18H,7,9,11-12,20H2,1H3,(H,21,22)
InChIKeyTYKNBTHEZOREKH-UHFFFAOYSA-N
XLogP2.46
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide?
The IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide (CID 166298512) is N-[[2-(aminomethyl)phenyl]methyl]-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide.
What is the SMILES notation for N-[[2-(aminomethyl)phenyl]methyl]-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide?
The canonical SMILES for N-[[2-(aminomethyl)phenyl]methyl]-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide is Cc1ccc2c(c1)CCC(C(=O)NCc1ccccc1CN)O2.
What is the InChIKey of N-[[2-(aminomethyl)phenyl]methyl]-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide?
The InChIKey is TYKNBTHEZOREKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-13-6-8-17-14(10-13)7-9-18(23-17)19(22)21-12-16-5-3-2-4-15(16)11-20/h2-6,8,10,18H,7,9,11-12,20H2,1H3,(H,21,22).
What are the key properties of N-[[2-(aminomethyl)phenyl]methyl]-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide?
N-[[2-(aminomethyl)phenyl]methyl]-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)phenyl]methyl]-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide is sourced from PubChem (CID 166298512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).