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

C16H16F2N2 — CID 79741947

IUPAC1-N-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine
SMILESNc1ccc2c(c1)CCC2NCc1ccc(F)c(F)c1
InChIInChI=1S/C16H16F2N2/c17-14-5-1-10(7-15(14)18)9-20-16-6-2-11-8-12(19)3-4-13(11)16/h1,3-5,7-8,16,20H,2,6,9,19H2
InChIKeyUYCQZCBSSPYPRO-UHFFFAOYSA-N
MW274.31 g/mol
LogP3.32
Rot. Bonds3

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

1-N-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine (PubChem CID 79741947) has the molecular formula C16H16F2N2 and a molecular weight of 274.31 g/mol. Its IUPAC name is 1-N-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine.

Molecular Properties

Compound Name1-N-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine
PubChem CID79741947
Molecular FormulaC16H16F2N2
Molecular Weight274.31 g/mol
Exact Mass274.13
IUPAC Name1-N-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine
SMILESNc1ccc2c(c1)CCC2NCc1ccc(F)c(F)c1
InChIInChI=1S/C16H16F2N2/c17-14-5-1-10(7-15(14)18)9-20-16-6-2-11-8-12(19)3-4-13(11)16/h1,3-5,7-8,16,20H,2,6,9,19H2
InChIKeyUYCQZCBSSPYPRO-UHFFFAOYSA-N
XLogP3.32
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 53.32
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

[4-[[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenyl]methanol
CID 107230271
1-N-[(3-bromophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 79741671
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-[(2-methoxy-4-pyridinyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 79742052
1-N-[(2-chlorophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 79737247
N-[(3-chloro-4-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 62537600
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
1-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-3-methylbutan-2-ol
CID 113492094
5-chloro-N-(1,2-oxazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 106415747
5-chloro-N-[[4-(dimethylamino)phenyl]methyl]-2,3-dihydro-1H-inden-1-amine
CID 78978931

Frequently Asked Questions

What is the IUPAC name of 1-N-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine?
The IUPAC name of 1-N-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine (CID 79741947) is 1-N-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine.
What is the SMILES notation for 1-N-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine?
The canonical SMILES for 1-N-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine is Nc1ccc2c(c1)CCC2NCc1ccc(F)c(F)c1.
What is the InChIKey of 1-N-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine?
The InChIKey is UYCQZCBSSPYPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2/c17-14-5-1-10(7-15(14)18)9-20-16-6-2-11-8-12(19)3-4-13(11)16/h1,3-5,7-8,16,20H,2,6,9,19H2.
What are the key properties of 1-N-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine?
1-N-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine has a molecular weight of 274.31 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine is sourced from PubChem (CID 79741947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).