N-[(3-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-5-amine

C17H19NO — CID 784639

IUPACN-[(3-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-5-amine
SMILESCOc1cccc(CNc2ccc3c(c2)CCC3)c1
InChIInChI=1S/C17H19NO/c1-19-17-7-2-4-13(10-17)12-18-16-9-8-14-5-3-6-15(14)11-16/h2,4,7-11,18H,3,5-6,12H2,1H3
InChIKeyIGRDWHBHFLHIQF-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.80
Rot. Bonds4

About N-[(3-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-5-amine

N-[(3-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-5-amine (PubChem CID 784639) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-5-amine.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-5-amine
PubChem CID784639
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC NameN-[(3-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-5-amine
SMILESCOc1cccc(CNc2ccc3c(c2)CCC3)c1
InChIInChI=1S/C17H19NO/c1-19-17-7-2-4-13(10-17)12-18-16-9-8-14-5-3-6-15(14)11-16/h2,4,7-11,18H,3,5-6,12H2,1H3
InChIKeyIGRDWHBHFLHIQF-UHFFFAOYSA-N
XLogP3.80
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 ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-(3,4-Dimethylphenyl)-1-[(3-methoxyphenyl)methyl]-1-methylthiourea
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(E)-N-(2,3-dihydro-1H-inden-5-yl)-3-(2,5-dimethoxyphenyl)prop-2-enamide
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(E)-N-(2,3-dihydro-1H-inden-5-yl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 2673431
N-(2,3-Dihydro-1H-inden-5-YL)-N'-(4-methoxyphenyl)urea
CID 24818655
[2-(4-Methoxy-phenyl)-ethyl]-p-tolyl-amine
CID 686951
4-(((4-Methoxyphenyl)amino)methyl)-N,N-dimethylaniline
CID 855075
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CID 743638

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-5-amine?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-5-amine (CID 784639) is N-[(3-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-5-amine.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-5-amine?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-5-amine is COc1cccc(CNc2ccc3c(c2)CCC3)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-5-amine?
The InChIKey is IGRDWHBHFLHIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-19-17-7-2-4-13(10-17)12-18-16-9-8-14-5-3-6-15(14)11-16/h2,4,7-11,18H,3,5-6,12H2,1H3.
What are the key properties of N-[(3-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-5-amine?
N-[(3-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-5-amine has a molecular weight of 253.34 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-5-amine is sourced from PubChem (CID 784639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).