1,1-difluoro-N-(3-indol-1-ylpropyl)propan-2-amine

C14H18F2N2 — CID 102868118

IUPAC1,1-difluoro-N-(3-indol-1-ylpropyl)propan-2-amine
SMILESCC(NCCCn1ccc2ccccc21)C(F)F
InChIInChI=1S/C14H18F2N2/c1-11(14(15)16)17-8-4-9-18-10-7-12-5-2-3-6-13(12)18/h2-3,5-7,10-11,14,17H,4,8-9H2,1H3
InChIKeyGUPWUNMEOVAOBJ-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.27
Rot. Bonds6

About 1,1-difluoro-N-(3-indol-1-ylpropyl)propan-2-amine

1,1-difluoro-N-(3-indol-1-ylpropyl)propan-2-amine (PubChem CID 102868118) has the molecular formula C14H18F2N2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1,1-difluoro-N-(3-indol-1-ylpropyl)propan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-N-(3-indol-1-ylpropyl)propan-2-amine
PubChem CID102868118
Molecular FormulaC14H18F2N2
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name1,1-difluoro-N-(3-indol-1-ylpropyl)propan-2-amine
SMILESCC(NCCCn1ccc2ccccc21)C(F)F
InChIInChI=1S/C14H18F2N2/c1-11(14(15)16)17-8-4-9-18-10-7-12-5-2-3-6-13(12)18/h2-3,5-7,10-11,14,17H,4,8-9H2,1H3
InChIKeyGUPWUNMEOVAOBJ-UHFFFAOYSA-N
XLogP3.27
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-indol-1-ylpropyl)pentan-2-amine
CID 43101059
N-(3-indol-1-ylpropyl)-1-methoxypropan-2-amine
CID 62534294
2,2-difluoro-N-(3-indol-1-ylpropyl)acetamide
CID 113218212
1-(3-fluoropropyl)indole
CID 81113690
(2S)-N-(3-indol-1-ylpropyl)-2-methylsulfonylpropanamide
CID 94154350
4-N-(3-indol-1-ylpropyl)-5-methoxypentane-1,4-diamine
CID 103387611
2,2,3,3-tetrafluoro-N-(3-indol-1-ylpropyl)propanamide
CID 103732076
1-(3-ethylsulfonylpropyl)indole
CID 65097244
3-indol-1-ylpropan-1-amine
CID 2512786
3-indol-1-ylpropane-1-thiol
CID 139540347
1-(3-iodopropyl)indole
CID 11323600
1-(2-fluoroethyl)indole
CID 80694500

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-(3-indol-1-ylpropyl)propan-2-amine?
The IUPAC name of 1,1-difluoro-N-(3-indol-1-ylpropyl)propan-2-amine (CID 102868118) is 1,1-difluoro-N-(3-indol-1-ylpropyl)propan-2-amine.
What is the SMILES notation for 1,1-difluoro-N-(3-indol-1-ylpropyl)propan-2-amine?
The canonical SMILES for 1,1-difluoro-N-(3-indol-1-ylpropyl)propan-2-amine is CC(NCCCn1ccc2ccccc21)C(F)F.
What is the InChIKey of 1,1-difluoro-N-(3-indol-1-ylpropyl)propan-2-amine?
The InChIKey is GUPWUNMEOVAOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2/c1-11(14(15)16)17-8-4-9-18-10-7-12-5-2-3-6-13(12)18/h2-3,5-7,10-11,14,17H,4,8-9H2,1H3.
What are the key properties of 1,1-difluoro-N-(3-indol-1-ylpropyl)propan-2-amine?
1,1-difluoro-N-(3-indol-1-ylpropyl)propan-2-amine has a molecular weight of 252.31 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-(3-indol-1-ylpropyl)propan-2-amine is sourced from PubChem (CID 102868118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).