1-N-[1-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine

C17H19ClN2 — CID 79724744

IUPAC1-N-[1-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine
SMILESCC(NC1CCc2cc(N)ccc21)c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2/c1-11(12-2-5-14(18)6-3-12)20-17-9-4-13-10-15(19)7-8-16(13)17/h2-3,5-8,10-11,17,20H,4,9,19H2,1H3
InChIKeyRGUQEGFATVOHGV-UHFFFAOYSA-N
MW286.81 g/mol
LogP4.26
Rot. Bonds3

About 1-N-[1-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine

1-N-[1-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine (PubChem CID 79724744) has the molecular formula C17H19ClN2 and a molecular weight of 286.81 g/mol. Its IUPAC name is 1-N-[1-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine.

Molecular Properties

Compound Name1-N-[1-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine
PubChem CID79724744
Molecular FormulaC17H19ClN2
Molecular Weight286.81 g/mol
Exact Mass286.12
IUPAC Name1-N-[1-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine
SMILESCC(NC1CCc2cc(N)ccc21)c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2/c1-11(12-2-5-14(18)6-3-12)20-17-9-4-13-10-15(19)7-8-16(13)17/h2-3,5-8,10-11,17,20H,4,9,19H2,1H3
InChIKeyRGUQEGFATVOHGV-UHFFFAOYSA-N
XLogP4.26
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 54.26
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-[1-(3,4-dichlorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 79736960
1-N-[(1S)-1-phenylethyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 81351089
4-[1-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]ethyl]benzonitrile
CID 79725526
2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]propane-1,3-diol
CID 79740783
1-N-(1-methylsulfonylpropan-2-yl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79741972
1-N-(1-methoxypropan-2-yl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79735935
5-fluoro-N-[1-(4-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 115710200
N-[1-(3,4-dichlorophenyl)ethyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 115663658
5-bromo-N-[(1S)-1-(3-chlorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 81366167
1-N-[2-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 79725130
5-bromo-N-[1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 61070069
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-chlorobenzenesulfonamide
CID 79723808

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine?
The IUPAC name of 1-N-[1-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine (CID 79724744) is 1-N-[1-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine.
What is the SMILES notation for 1-N-[1-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine?
The canonical SMILES for 1-N-[1-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine is CC(NC1CCc2cc(N)ccc21)c1ccc(Cl)cc1.
What is the InChIKey of 1-N-[1-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine?
The InChIKey is RGUQEGFATVOHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2/c1-11(12-2-5-14(18)6-3-12)20-17-9-4-13-10-15(19)7-8-16(13)17/h2-3,5-8,10-11,17,20H,4,9,19H2,1H3.
What are the key properties of 1-N-[1-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine?
1-N-[1-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine has a molecular weight of 286.81 g/mol, XLogP of 4.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine is sourced from PubChem (CID 79724744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).