N-[2,3-dihydro-1H-inden-1-yl-(4-methoxyphenyl)methyl]ethanamine

C19H23NO — CID 65404758

IUPACN-[2,3-dihydro-1H-inden-1-yl-(4-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)cc1)C1CCc2ccccc21
InChIInChI=1S/C19H23NO/c1-3-20-19(15-8-11-16(21-2)12-9-15)18-13-10-14-6-4-5-7-17(14)18/h4-9,11-12,18-20H,3,10,13H2,1-2H3
InChIKeyTZIGTLFQMHWUOM-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.08
Rot. Bonds5

About N-[2,3-dihydro-1H-inden-1-yl-(4-methoxyphenyl)methyl]ethanamine

N-[2,3-dihydro-1H-inden-1-yl-(4-methoxyphenyl)methyl]ethanamine (PubChem CID 65404758) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[2,3-dihydro-1H-inden-1-yl-(4-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[2,3-dihydro-1H-inden-1-yl-(4-methoxyphenyl)methyl]ethanamine
PubChem CID65404758
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC NameN-[2,3-dihydro-1H-inden-1-yl-(4-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)cc1)C1CCc2ccccc21
InChIInChI=1S/C19H23NO/c1-3-20-19(15-8-11-16(21-2)12-9-15)18-13-10-14-6-4-5-7-17(14)18/h4-9,11-12,18-20H,3,10,13H2,1-2H3
InChIKeyTZIGTLFQMHWUOM-UHFFFAOYSA-N
XLogP4.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,4-dichlorophenyl)-(2,3-dihydro-1H-inden-1-yl)methyl]ethanamine
CID 65404174
N-[(4-bromophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]ethanamine
CID 63509295
N-[2,3-dihydro-1H-inden-1-yl-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 65403782
N-[(3-chlorophenyl)-(2,3-dihydro-1H-inden-1-yl)methyl]ethanamine
CID 65405344
N-[2,3-dihydro-1H-inden-1-yl-(4-methylphenyl)methyl]propan-1-amine
CID 65404182
N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]ethanamine
CID 93040874
N-[(4-methoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methyl]ethanamine
CID 105095566
N-[2,3-dihydro-1H-inden-1-yl-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 103130973
N-[(4-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine
CID 65423233
N-ethyl-1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)ethanamine
CID 79368208
N-[2,3-dihydro-1H-inden-1-yl-(3-methyltriazol-4-yl)methyl]ethanamine
CID 114688144
[2,3-dihydro-1H-inden-1-yl-(4-propan-2-ylphenyl)methyl]hydrazine
CID 105234537

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydro-1H-inden-1-yl-(4-methoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[2,3-dihydro-1H-inden-1-yl-(4-methoxyphenyl)methyl]ethanamine (CID 65404758) is N-[2,3-dihydro-1H-inden-1-yl-(4-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[2,3-dihydro-1H-inden-1-yl-(4-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[2,3-dihydro-1H-inden-1-yl-(4-methoxyphenyl)methyl]ethanamine is CCNC(c1ccc(OC)cc1)C1CCc2ccccc21.
What is the InChIKey of N-[2,3-dihydro-1H-inden-1-yl-(4-methoxyphenyl)methyl]ethanamine?
The InChIKey is TZIGTLFQMHWUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-3-20-19(15-8-11-16(21-2)12-9-15)18-13-10-14-6-4-5-7-17(14)18/h4-9,11-12,18-20H,3,10,13H2,1-2H3.
What are the key properties of N-[2,3-dihydro-1H-inden-1-yl-(4-methoxyphenyl)methyl]ethanamine?
N-[2,3-dihydro-1H-inden-1-yl-(4-methoxyphenyl)methyl]ethanamine has a molecular weight of 281.40 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydro-1H-inden-1-yl-(4-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 65404758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).