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

C17H19FN2 — CID 79741442

IUPAC1-N-[(3-fluorophenyl)methyl]-1-N-methyl-2,3-dihydro-1H-indene-1,5-diamine
SMILESCN(Cc1cccc(F)c1)C1CCc2cc(N)ccc21
InChIInChI=1S/C17H19FN2/c1-20(11-12-3-2-4-14(18)9-12)17-8-5-13-10-15(19)6-7-16(13)17/h2-4,6-7,9-10,17H,5,8,11,19H2,1H3
InChIKeyYEWKZRJFUSSGHP-UHFFFAOYSA-N
MW270.35 g/mol
LogP3.53
Rot. Bonds3

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

1-N-[(3-fluorophenyl)methyl]-1-N-methyl-2,3-dihydro-1H-indene-1,5-diamine (PubChem CID 79741442) has the molecular formula C17H19FN2 and a molecular weight of 270.35 g/mol. Its IUPAC name is 1-N-[(3-fluorophenyl)methyl]-1-N-methyl-2,3-dihydro-1H-indene-1,5-diamine.

Molecular Properties

Compound Name1-N-[(3-fluorophenyl)methyl]-1-N-methyl-2,3-dihydro-1H-indene-1,5-diamine
PubChem CID79741442
Molecular FormulaC17H19FN2
Molecular Weight270.35 g/mol
Exact Mass270.15
IUPAC Name1-N-[(3-fluorophenyl)methyl]-1-N-methyl-2,3-dihydro-1H-indene-1,5-diamine
SMILESCN(Cc1cccc(F)c1)C1CCc2cc(N)ccc21
InChIInChI=1S/C17H19FN2/c1-20(11-12-3-2-4-14(18)9-12)17-8-5-13-10-15(19)6-7-16(13)17/h2-4,6-7,9-10,17H,5,8,11,19H2,1H3
InChIKeyYEWKZRJFUSSGHP-UHFFFAOYSA-N
XLogP3.53
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(4-bromophenyl)methyl]-1-N-methyl-2,3-dihydro-1H-indene-1,5-diamine
CID 79741538
1-N-[(2-methoxyphenyl)methyl]-1-N-methyl-2,3-dihydro-1H-indene-1,5-diamine
CID 79722348
1-N-methyl-1-N-(2-methylphenyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79742002
1-N-methyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 79740810
2-[(3-fluorophenyl)methyl-methylamino]cyclohexan-1-ol
CID 60714854
2-N-benzyl-2-N-methyl-1,2,3,4-tetrahydronaphthalene-2,7-diamine
CID 14798927
1-N-propan-2-yl-1-N-propyl-2,3-dihydro-1H-indene-1,5-diamine
CID 79742171
1-cyclopropyl-2-[(3-fluorophenyl)methyl-methylamino]ethanol
CID 111858608
N-[(2,3-difluorophenyl)methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 134039074
2-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-methylcyclopentan-1-amine
CID 82768565
N-[(4-fluorophenyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 134792918

Frequently Asked Questions

What is the IUPAC name of 1-N-[(3-fluorophenyl)methyl]-1-N-methyl-2,3-dihydro-1H-indene-1,5-diamine?
The IUPAC name of 1-N-[(3-fluorophenyl)methyl]-1-N-methyl-2,3-dihydro-1H-indene-1,5-diamine (CID 79741442) is 1-N-[(3-fluorophenyl)methyl]-1-N-methyl-2,3-dihydro-1H-indene-1,5-diamine.
What is the SMILES notation for 1-N-[(3-fluorophenyl)methyl]-1-N-methyl-2,3-dihydro-1H-indene-1,5-diamine?
The canonical SMILES for 1-N-[(3-fluorophenyl)methyl]-1-N-methyl-2,3-dihydro-1H-indene-1,5-diamine is CN(Cc1cccc(F)c1)C1CCc2cc(N)ccc21.
What is the InChIKey of 1-N-[(3-fluorophenyl)methyl]-1-N-methyl-2,3-dihydro-1H-indene-1,5-diamine?
The InChIKey is YEWKZRJFUSSGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2/c1-20(11-12-3-2-4-14(18)9-12)17-8-5-13-10-15(19)6-7-16(13)17/h2-4,6-7,9-10,17H,5,8,11,19H2,1H3.
What are the key properties of 1-N-[(3-fluorophenyl)methyl]-1-N-methyl-2,3-dihydro-1H-indene-1,5-diamine?
1-N-[(3-fluorophenyl)methyl]-1-N-methyl-2,3-dihydro-1H-indene-1,5-diamine has a molecular weight of 270.35 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(3-fluorophenyl)methyl]-1-N-methyl-2,3-dihydro-1H-indene-1,5-diamine is sourced from PubChem (CID 79741442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).