1-(4-cyclopropylphenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine

C17H22N2O — CID 79984790

IUPAC1-(4-cyclopropylphenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine
SMILESCN(Cc1ccoc1)C(CN)c1ccc(C2CC2)cc1
InChIInChI=1S/C17H22N2O/c1-19(11-13-8-9-20-12-13)17(10-18)16-6-4-15(5-7-16)14-2-3-14/h4-9,12,14,17H,2-3,10-11,18H2,1H3
InChIKeyFFNFOIZFIDCNDT-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.29
Rot. Bonds6

About 1-(4-cyclopropylphenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine

1-(4-cyclopropylphenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine (PubChem CID 79984790) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-(4-cyclopropylphenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-cyclopropylphenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine
PubChem CID79984790
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-(4-cyclopropylphenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine
SMILESCN(Cc1ccoc1)C(CN)c1ccc(C2CC2)cc1
InChIInChI=1S/C17H22N2O/c1-19(11-13-8-9-20-12-13)17(10-18)16-6-4-15(5-7-16)14-2-3-14/h4-9,12,14,17H,2-3,10-11,18H2,1H3
InChIKeyFFNFOIZFIDCNDT-UHFFFAOYSA-N
XLogP3.29
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropylphenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine?
The IUPAC name of 1-(4-cyclopropylphenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine (CID 79984790) is 1-(4-cyclopropylphenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-(4-cyclopropylphenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine?
The canonical SMILES for 1-(4-cyclopropylphenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine is CN(Cc1ccoc1)C(CN)c1ccc(C2CC2)cc1.
What is the InChIKey of 1-(4-cyclopropylphenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine?
The InChIKey is FFNFOIZFIDCNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-19(11-13-8-9-20-12-13)17(10-18)16-6-4-15(5-7-16)14-2-3-14/h4-9,12,14,17H,2-3,10-11,18H2,1H3.
What are the key properties of 1-(4-cyclopropylphenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine?
1-(4-cyclopropylphenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine has a molecular weight of 270.38 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropylphenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 79984790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).