1-N-[(2-methoxyphenyl)methyl]-1-N-methyl-2,3-dihydro-1H-indene-1,5-diamine

C18H22N2O — CID 79722348

IUPAC1-N-[(2-methoxyphenyl)methyl]-1-N-methyl-2,3-dihydro-1H-indene-1,5-diamine
SMILESCOc1ccccc1CN(C)C1CCc2cc(N)ccc21
InChIInChI=1S/C18H22N2O/c1-20(12-14-5-3-4-6-18(14)21-2)17-10-7-13-11-15(19)8-9-16(13)17/h3-6,8-9,11,17H,7,10,12,19H2,1-2H3
InChIKeyYDNJVZCGAZHMAQ-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.40
Rot. Bonds4

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

1-N-[(2-methoxyphenyl)methyl]-1-N-methyl-2,3-dihydro-1H-indene-1,5-diamine (PubChem CID 79722348) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-N-[(2-methoxyphenyl)methyl]-1-N-methyl-2,3-dihydro-1H-indene-1,5-diamine.

Molecular Properties

Compound Name1-N-[(2-methoxyphenyl)methyl]-1-N-methyl-2,3-dihydro-1H-indene-1,5-diamine
PubChem CID79722348
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1-N-[(2-methoxyphenyl)methyl]-1-N-methyl-2,3-dihydro-1H-indene-1,5-diamine
SMILESCOc1ccccc1CN(C)C1CCc2cc(N)ccc21
InChIInChI=1S/C18H22N2O/c1-20(12-14-5-3-4-6-18(14)21-2)17-10-7-13-11-15(19)8-9-16(13)17/h3-6,8-9,11,17H,7,10,12,19H2,1-2H3
InChIKeyYDNJVZCGAZHMAQ-UHFFFAOYSA-N
XLogP3.40
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-N-benzyl-1-N-methyl-2,3-dihydro-1H-indene-1,5-diamine
CID 79742169
1-N-[(3-fluorophenyl)methyl]-1-N-methyl-2,3-dihydro-1H-indene-1,5-diamine
CID 79741442
1-N-[(4-bromophenyl)methyl]-1-N-methyl-2,3-dihydro-1H-indene-1,5-diamine
CID 79741538
4-amino-2-[[(2-methoxyphenyl)methyl-methylamino]methyl]phenol
CID 61419975
1-N-methyl-1-N-(2-propan-2-yloxyethyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 81063269
1-N-methyl-1-N-(2-thiophen-2-ylethyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79741459
1-N-methyl-1-N-(2-methylphenyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79742002
N-methyl-N-(naphthalen-1-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 134791752
N-[(2,3-difluorophenyl)methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 134039074
2-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]phenol
CID 82976717
2-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]benzonitrile
CID 134043154
1-N-methyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 79740810

Frequently Asked Questions

What is the IUPAC name of 1-N-[(2-methoxyphenyl)methyl]-1-N-methyl-2,3-dihydro-1H-indene-1,5-diamine?
The IUPAC name of 1-N-[(2-methoxyphenyl)methyl]-1-N-methyl-2,3-dihydro-1H-indene-1,5-diamine (CID 79722348) is 1-N-[(2-methoxyphenyl)methyl]-1-N-methyl-2,3-dihydro-1H-indene-1,5-diamine.
What is the SMILES notation for 1-N-[(2-methoxyphenyl)methyl]-1-N-methyl-2,3-dihydro-1H-indene-1,5-diamine?
The canonical SMILES for 1-N-[(2-methoxyphenyl)methyl]-1-N-methyl-2,3-dihydro-1H-indene-1,5-diamine is COc1ccccc1CN(C)C1CCc2cc(N)ccc21.
What is the InChIKey of 1-N-[(2-methoxyphenyl)methyl]-1-N-methyl-2,3-dihydro-1H-indene-1,5-diamine?
The InChIKey is YDNJVZCGAZHMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-20(12-14-5-3-4-6-18(14)21-2)17-10-7-13-11-15(19)8-9-16(13)17/h3-6,8-9,11,17H,7,10,12,19H2,1-2H3.
What are the key properties of 1-N-[(2-methoxyphenyl)methyl]-1-N-methyl-2,3-dihydro-1H-indene-1,5-diamine?
1-N-[(2-methoxyphenyl)methyl]-1-N-methyl-2,3-dihydro-1H-indene-1,5-diamine has a molecular weight of 282.39 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(2-methoxyphenyl)methyl]-1-N-methyl-2,3-dihydro-1H-indene-1,5-diamine is sourced from PubChem (CID 79722348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).