N-[3-(methoxymethyl)phenyl]-2,3-dihydro-1H-inden-1-amine

C17H19NO — CID 43672235

IUPACN-[3-(methoxymethyl)phenyl]-2,3-dihydro-1H-inden-1-amine
SMILESCOCc1cccc(NC2CCc3ccccc32)c1
InChIInChI=1S/C17H19NO/c1-19-12-13-5-4-7-15(11-13)18-17-10-9-14-6-2-3-8-16(14)17/h2-8,11,17-18H,9-10,12H2,1H3
InChIKeyWJDBQKVDIMPHGG-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.93
Rot. Bonds4

About N-[3-(methoxymethyl)phenyl]-2,3-dihydro-1H-inden-1-amine

N-[3-(methoxymethyl)phenyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 43672235) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is N-[3-(methoxymethyl)phenyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-[3-(methoxymethyl)phenyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID43672235
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC NameN-[3-(methoxymethyl)phenyl]-2,3-dihydro-1H-inden-1-amine
SMILESCOCc1cccc(NC2CCc3ccccc32)c1
InChIInChI=1S/C17H19NO/c1-19-12-13-5-4-7-15(11-13)18-17-10-9-14-6-2-3-8-16(14)17/h2-8,11,17-18H,9-10,12H2,1H3
InChIKeyWJDBQKVDIMPHGG-UHFFFAOYSA-N
XLogP3.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-N-[3-(methoxymethyl)phenyl]-2,3-dihydro-1H-inden-1-amine
CID 115918170
N-[3-(methoxymethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 62841936
2-iodo-N-[3-(methoxymethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82686767
2-[3-(2,3-dihydro-1H-inden-1-ylamino)phenoxy]acetonitrile
CID 43721237
3-(2,3-dihydro-1H-inden-1-ylamino)benzamide
CID 43202872
3-(methoxymethyl)-N-methylaniline
CID 23080905
N-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-N'-[3-(methoxymethyl)phenyl]oxamide
CID 95615042
trans-(1S,2S)-2-[3-(methoxymethyl)anilino]cyclopentan-1-ol
CID 94220643
N-(4-ethoxyphenyl)-2,3-dihydro-1H-inden-1-amine
CID 43191383
3-(methoxymethyl)-N-(2-methylcyclopentyl)aniline
CID 65044502
N-[3-(methoxymethyl)phenyl]-1-methylazepan-4-amine
CID 65070554
N-phenylmethoxy-2,3-dihydro-1H-inden-1-amine
CID 82710227

Frequently Asked Questions

What is the IUPAC name of N-[3-(methoxymethyl)phenyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-[3-(methoxymethyl)phenyl]-2,3-dihydro-1H-inden-1-amine (CID 43672235) is N-[3-(methoxymethyl)phenyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-[3-(methoxymethyl)phenyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-[3-(methoxymethyl)phenyl]-2,3-dihydro-1H-inden-1-amine is COCc1cccc(NC2CCc3ccccc32)c1.
What is the InChIKey of N-[3-(methoxymethyl)phenyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is WJDBQKVDIMPHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-19-12-13-5-4-7-15(11-13)18-17-10-9-14-6-2-3-8-16(14)17/h2-8,11,17-18H,9-10,12H2,1H3.
What are the key properties of N-[3-(methoxymethyl)phenyl]-2,3-dihydro-1H-inden-1-amine?
N-[3-(methoxymethyl)phenyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 253.34 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methoxymethyl)phenyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 43672235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).