1-N-[2-(2-methoxyethyl)phenyl]-2,3-dihydro-1H-indene-1,5-diamine

C18H22N2O — CID 102903875

IUPAC1-N-[2-(2-methoxyethyl)phenyl]-2,3-dihydro-1H-indene-1,5-diamine
SMILESCOCCc1ccccc1NC1CCc2cc(N)ccc21
InChIInChI=1S/C18H22N2O/c1-21-11-10-13-4-2-3-5-17(13)20-18-9-6-14-12-15(19)7-8-16(14)18/h2-5,7-8,12,18,20H,6,9-11,19H2,1H3
InChIKeyOMGRSWDINTUJLC-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.56
Rot. Bonds5

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

1-N-[2-(2-methoxyethyl)phenyl]-2,3-dihydro-1H-indene-1,5-diamine (PubChem CID 102903875) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-N-[2-(2-methoxyethyl)phenyl]-2,3-dihydro-1H-indene-1,5-diamine.

Molecular Properties

Compound Name1-N-[2-(2-methoxyethyl)phenyl]-2,3-dihydro-1H-indene-1,5-diamine
PubChem CID102903875
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1-N-[2-(2-methoxyethyl)phenyl]-2,3-dihydro-1H-indene-1,5-diamine
SMILESCOCCc1ccccc1NC1CCc2cc(N)ccc21
InChIInChI=1S/C18H22N2O/c1-21-11-10-13-4-2-3-5-17(13)20-18-9-6-14-12-15(19)7-8-16(14)18/h2-5,7-8,12,18,20H,6,9-11,19H2,1H3
InChIKeyOMGRSWDINTUJLC-UHFFFAOYSA-N
XLogP3.56
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 79735267
1-N-(2-methyl-3-pyridinyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79740883
1-N-(1-methoxypropan-2-yl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79735935
1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-[2-(2-methoxyethyl)phenyl]urea
CID 126793549
2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]benzamide
CID 79741931
1-N-(2,4-dibromo-5-methoxyphenyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 103412279
N-cyclobutyl-2-(2-methoxyethyl)aniline
CID 102848928
1-N-[(2-chlorophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 79737247
N-(4-ethylcyclohexyl)-2-(2-methoxyethyl)aniline
CID 102903852
1-N-(3-ethoxyphenyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79730721
1-N-[(1S)-1-phenylethyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 81351089
1-N-(4-ethoxyphenyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79735926

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(2-methoxyethyl)phenyl]-2,3-dihydro-1H-indene-1,5-diamine?
The IUPAC name of 1-N-[2-(2-methoxyethyl)phenyl]-2,3-dihydro-1H-indene-1,5-diamine (CID 102903875) is 1-N-[2-(2-methoxyethyl)phenyl]-2,3-dihydro-1H-indene-1,5-diamine.
What is the SMILES notation for 1-N-[2-(2-methoxyethyl)phenyl]-2,3-dihydro-1H-indene-1,5-diamine?
The canonical SMILES for 1-N-[2-(2-methoxyethyl)phenyl]-2,3-dihydro-1H-indene-1,5-diamine is COCCc1ccccc1NC1CCc2cc(N)ccc21.
What is the InChIKey of 1-N-[2-(2-methoxyethyl)phenyl]-2,3-dihydro-1H-indene-1,5-diamine?
The InChIKey is OMGRSWDINTUJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-21-11-10-13-4-2-3-5-17(13)20-18-9-6-14-12-15(19)7-8-16(14)18/h2-5,7-8,12,18,20H,6,9-11,19H2,1H3.
What are the key properties of 1-N-[2-(2-methoxyethyl)phenyl]-2,3-dihydro-1H-indene-1,5-diamine?
1-N-[2-(2-methoxyethyl)phenyl]-2,3-dihydro-1H-indene-1,5-diamine has a molecular weight of 282.39 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(2-methoxyethyl)phenyl]-2,3-dihydro-1H-indene-1,5-diamine is sourced from PubChem (CID 102903875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).