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

C16H17ClN2 — CID 79737247

IUPAC1-N-[(2-chlorophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine
SMILESNc1ccc2c(c1)CCC2NCc1ccccc1Cl
InChIInChI=1S/C16H17ClN2/c17-15-4-2-1-3-12(15)10-19-16-8-5-11-9-13(18)6-7-14(11)16/h1-4,6-7,9,16,19H,5,8,10,18H2
InChIKeyZIXZGTQRKVNWKL-UHFFFAOYSA-N
MW272.78 g/mol
LogP3.70
Rot. Bonds3

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

1-N-[(2-chlorophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine (PubChem CID 79737247) has the molecular formula C16H17ClN2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 1-N-[(2-chlorophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine.

Molecular Properties

Compound Name1-N-[(2-chlorophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine
PubChem CID79737247
Molecular FormulaC16H17ClN2
Molecular Weight272.78 g/mol
Exact Mass272.11
IUPAC Name1-N-[(2-chlorophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine
SMILESNc1ccc2c(c1)CCC2NCc1ccccc1Cl
InChIInChI=1S/C16H17ClN2/c17-15-4-2-1-3-12(15)10-19-16-8-5-11-9-13(18)6-7-14(11)16/h1-4,6-7,9,16,19H,5,8,10,18H2
InChIKeyZIXZGTQRKVNWKL-UHFFFAOYSA-N
XLogP3.70
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N-[(3-bromophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 79741671
[4-[[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenyl]methanol
CID 107230271
1-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 106038711
2-chloro-N-[(2-chlorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252564
1-[(2-chlorophenyl)methylamino]-2,3-dihydro-1H-inden-4-ol
CID 43636953
1-N-(thiophen-3-ylmethyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79741691
1-N-[2-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 79725130
1-N-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 79741947
2-[[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenol
CID 115603168
N-[(2-chlorophenyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 78978173
1-N-(1,3-thiazol-2-ylmethyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79740841
2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]acetamide
CID 79735729

Frequently Asked Questions

What is the IUPAC name of 1-N-[(2-chlorophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine?
The IUPAC name of 1-N-[(2-chlorophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine (CID 79737247) is 1-N-[(2-chlorophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine.
What is the SMILES notation for 1-N-[(2-chlorophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine?
The canonical SMILES for 1-N-[(2-chlorophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine is Nc1ccc2c(c1)CCC2NCc1ccccc1Cl.
What is the InChIKey of 1-N-[(2-chlorophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine?
The InChIKey is ZIXZGTQRKVNWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2/c17-15-4-2-1-3-12(15)10-19-16-8-5-11-9-13(18)6-7-14(11)16/h1-4,6-7,9,16,19H,5,8,10,18H2.
What are the key properties of 1-N-[(2-chlorophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine?
1-N-[(2-chlorophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine has a molecular weight of 272.78 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(2-chlorophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine is sourced from PubChem (CID 79737247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).