N-[[3-(aminomethyl)phenyl]methyl]-2,3-dihydro-1H-indene-2-carboxamide

C18H20N2O — CID 106892179

IUPACN-[[3-(aminomethyl)phenyl]methyl]-2,3-dihydro-1H-indene-2-carboxamide
SMILESNCc1cccc(CNC(=O)C2Cc3ccccc3C2)c1
InChIInChI=1S/C18H20N2O/c19-11-13-4-3-5-14(8-13)12-20-18(21)17-9-15-6-1-2-7-16(15)10-17/h1-8,17H,9-12,19H2,(H,20,21)
InChIKeyBFESZPFRHSMFHT-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.18
Rot. Bonds4

About N-[[3-(aminomethyl)phenyl]methyl]-2,3-dihydro-1H-indene-2-carboxamide

N-[[3-(aminomethyl)phenyl]methyl]-2,3-dihydro-1H-indene-2-carboxamide (PubChem CID 106892179) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[[3-(aminomethyl)phenyl]methyl]-2,3-dihydro-1H-indene-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(aminomethyl)phenyl]methyl]-2,3-dihydro-1H-indene-2-carboxamide
PubChem CID106892179
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC NameN-[[3-(aminomethyl)phenyl]methyl]-2,3-dihydro-1H-indene-2-carboxamide
SMILESNCc1cccc(CNC(=O)C2Cc3ccccc3C2)c1
InChIInChI=1S/C18H20N2O/c19-11-13-4-3-5-14(8-13)12-20-18(21)17-9-15-6-1-2-7-16(15)10-17/h1-8,17H,9-12,19H2,(H,20,21)
InChIKeyBFESZPFRHSMFHT-UHFFFAOYSA-N
XLogP2.18
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(aminomethyl)phenyl]methyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66394329
N-[[4-[(2,3-dihydro-1H-indene-2-carbonylamino)methyl]phenyl]methyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 155137344
N-[[3-(aminomethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43589376
N-[[3-[(cyclopent-3-ene-1-carbonylamino)methyl]phenyl]methyl]cyclopent-3-ene-1-carboxamide
CID 75437000
N-[(2-hydroxyphenyl)methyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 106703935
N-[4-(aminomethyl)phenyl]sulfonyl-2,3-dihydro-1H-indene-2-carboxamide
CID 112521990
N-[[3-(aminomethyl)phenyl]methyl]-1,4-dioxane-2-carboxamide
CID 62797794
(3S)-N-[(3-methylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 92713196
N-[[3-(aminomethyl)phenyl]methyl]-N'-(piperidine-4-carbonyl)oxamide
CID 108519038
3-amino-N-[[3-(aminomethyl)phenyl]methyl]propanamide;dihydrochloride
CID 138011978
N-[[3-(aminomethyl)phenyl]methyl]-N'-[(2-chlorophenyl)methyl]oxamide
CID 108506084
N-[[3-(hydroxymethyl)phenyl]methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119318807

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-2,3-dihydro-1H-indene-2-carboxamide?
The IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-2,3-dihydro-1H-indene-2-carboxamide (CID 106892179) is N-[[3-(aminomethyl)phenyl]methyl]-2,3-dihydro-1H-indene-2-carboxamide.
What is the SMILES notation for N-[[3-(aminomethyl)phenyl]methyl]-2,3-dihydro-1H-indene-2-carboxamide?
The canonical SMILES for N-[[3-(aminomethyl)phenyl]methyl]-2,3-dihydro-1H-indene-2-carboxamide is NCc1cccc(CNC(=O)C2Cc3ccccc3C2)c1.
What is the InChIKey of N-[[3-(aminomethyl)phenyl]methyl]-2,3-dihydro-1H-indene-2-carboxamide?
The InChIKey is BFESZPFRHSMFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c19-11-13-4-3-5-14(8-13)12-20-18(21)17-9-15-6-1-2-7-16(15)10-17/h1-8,17H,9-12,19H2,(H,20,21).
What are the key properties of N-[[3-(aminomethyl)phenyl]methyl]-2,3-dihydro-1H-indene-2-carboxamide?
N-[[3-(aminomethyl)phenyl]methyl]-2,3-dihydro-1H-indene-2-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 2.18, 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]methyl]-2,3-dihydro-1H-indene-2-carboxamide is sourced from PubChem (CID 106892179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).