1-N-cyclopropyl-2-(difluoromethyl)-1-N-(furan-2-ylmethyl)benzene-1,4-diamine

C15H16F2N2O — CID 63734970

IUPAC1-N-cyclopropyl-2-(difluoromethyl)-1-N-(furan-2-ylmethyl)benzene-1,4-diamine
SMILESNc1ccc(N(Cc2ccco2)C2CC2)c(C(F)F)c1
InChIInChI=1S/C15H16F2N2O/c16-15(17)13-8-10(18)3-6-14(13)19(11-4-5-11)9-12-2-1-7-20-12/h1-3,6-8,11,15H,4-5,9,18H2
InChIKeyQYJFCVHUYVSFJU-UHFFFAOYSA-N
MW278.30 g/mol
LogP3.97
Rot. Bonds5

About 1-N-cyclopropyl-2-(difluoromethyl)-1-N-(furan-2-ylmethyl)benzene-1,4-diamine

1-N-cyclopropyl-2-(difluoromethyl)-1-N-(furan-2-ylmethyl)benzene-1,4-diamine (PubChem CID 63734970) has the molecular formula C15H16F2N2O and a molecular weight of 278.30 g/mol. Its IUPAC name is 1-N-cyclopropyl-2-(difluoromethyl)-1-N-(furan-2-ylmethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-2-(difluoromethyl)-1-N-(furan-2-ylmethyl)benzene-1,4-diamine
PubChem CID63734970
Molecular FormulaC15H16F2N2O
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC Name1-N-cyclopropyl-2-(difluoromethyl)-1-N-(furan-2-ylmethyl)benzene-1,4-diamine
SMILESNc1ccc(N(Cc2ccco2)C2CC2)c(C(F)F)c1
InChIInChI=1S/C15H16F2N2O/c16-15(17)13-8-10(18)3-6-14(13)19(11-4-5-11)9-12-2-1-7-20-12/h1-3,6-8,11,15H,4-5,9,18H2
InChIKeyQYJFCVHUYVSFJU-UHFFFAOYSA-N
XLogP3.97
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,6-dichloro-1-N-cyclopropyl-1-N-(furan-2-ylmethyl)benzene-1,4-diamine
CID 106890198
1-N-cyclopropyl-2-(difluoromethyl)-1-N-(2-methoxyethyl)benzene-1,4-diamine
CID 63735637
2-(1-aminoethyl)-5-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)aniline
CID 82968919
2-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)-4-methylaniline
CID 107926140
4-amino-3-[cyclopropyl(furan-2-ylmethyl)amino]benzenesulfonamide
CID 82900371
8-N-cyclopropyl-8-N-(furan-2-ylmethyl)isoquinoline-5,8-diamine
CID 103137838
4-N-cyclopropyl-4-N-(furan-2-ylmethyl)-2-methylbenzene-1,4-diamine
CID 55003816
[4-[cyclopropyl(furan-2-ylmethyl)amino]-3-methylphenyl]methanol
CID 62122235
5-amino-3-chloro-2-[cyclopropyl(furan-2-ylmethyl)amino]benzoic acid
CID 107195369
3-(2-aminoethyl)-N-cyclopropyl-5-fluoro-N-(furan-2-ylmethyl)aniline
CID 106532772
2-[cyclopropyl(furan-2-ylmethyl)amino]-5-methylbenzonitrile
CID 107927277
6-N-cyclopropyl-6-N-(furan-2-ylmethyl)pyridine-2,3,6-triamine
CID 79827765

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-2-(difluoromethyl)-1-N-(furan-2-ylmethyl)benzene-1,4-diamine?
The IUPAC name of 1-N-cyclopropyl-2-(difluoromethyl)-1-N-(furan-2-ylmethyl)benzene-1,4-diamine (CID 63734970) is 1-N-cyclopropyl-2-(difluoromethyl)-1-N-(furan-2-ylmethyl)benzene-1,4-diamine.
What is the SMILES notation for 1-N-cyclopropyl-2-(difluoromethyl)-1-N-(furan-2-ylmethyl)benzene-1,4-diamine?
The canonical SMILES for 1-N-cyclopropyl-2-(difluoromethyl)-1-N-(furan-2-ylmethyl)benzene-1,4-diamine is Nc1ccc(N(Cc2ccco2)C2CC2)c(C(F)F)c1.
What is the InChIKey of 1-N-cyclopropyl-2-(difluoromethyl)-1-N-(furan-2-ylmethyl)benzene-1,4-diamine?
The InChIKey is QYJFCVHUYVSFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O/c16-15(17)13-8-10(18)3-6-14(13)19(11-4-5-11)9-12-2-1-7-20-12/h1-3,6-8,11,15H,4-5,9,18H2.
What are the key properties of 1-N-cyclopropyl-2-(difluoromethyl)-1-N-(furan-2-ylmethyl)benzene-1,4-diamine?
1-N-cyclopropyl-2-(difluoromethyl)-1-N-(furan-2-ylmethyl)benzene-1,4-diamine has a molecular weight of 278.30 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-2-(difluoromethyl)-1-N-(furan-2-ylmethyl)benzene-1,4-diamine is sourced from PubChem (CID 63734970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).