2,4-bis(prop-1-en-2-yl)dibenzofuran-1-amine

C18H17NO — CID 58401033

IUPAC2,4-bis(prop-1-en-2-yl)dibenzofuran-1-amine
SMILESC=C(C)c1cc(C(=C)C)c2oc3ccccc3c2c1N
InChIInChI=1S/C18H17NO/c1-10(2)13-9-14(11(3)4)18-16(17(13)19)12-7-5-6-8-15(12)20-18/h5-9H,1,3,19H2,2,4H3
InChIKeyOOEOLVOSYGLJMO-UHFFFAOYSA-N
MW263.34 g/mol
LogP5.23
Rot. Bonds2

About 2,4-bis(prop-1-en-2-yl)dibenzofuran-1-amine

2,4-bis(prop-1-en-2-yl)dibenzofuran-1-amine (PubChem CID 58401033) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is 2,4-bis(prop-1-en-2-yl)dibenzofuran-1-amine.

Molecular Properties

Compound Name2,4-bis(prop-1-en-2-yl)dibenzofuran-1-amine
PubChem CID58401033
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name2,4-bis(prop-1-en-2-yl)dibenzofuran-1-amine
SMILESC=C(C)c1cc(C(=C)C)c2oc3ccccc3c2c1N
InChIInChI=1S/C18H17NO/c1-10(2)13-9-14(11(3)4)18-16(17(13)19)12-7-5-6-8-15(12)20-18/h5-9H,1,3,19H2,2,4H3
InChIKeyOOEOLVOSYGLJMO-UHFFFAOYSA-N
XLogP5.23
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.34
LogP ≤ 55.23
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

3-methyldibenzofuran-1,4-diamine
CID 68822096
2,4-di(propan-2-yl)dibenzofuran-1-amine;ethane
CID 144650095
1,3-di(propan-2-yl)dibenzofuran-4-amine
CID 58400957
3-methoxydibenzofuran-1,4-diamine
CID 68825275
11,23-dimethyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3,5,7,11,14(22),15,17,19,23-undecaene
CID 144608278
2-prop-1-en-2-yldibenzofuran
CID 142504770
2-[(1-amino-2-methyldibenzofuran-4-yl)methylamino]ethanol
CID 86075075
2-[(4-amino-3-methyldibenzofuran-1-yl)amino]ethanol
CID 68822637
dibenzofuran-1,2-diamine
CID 21425844
1-(3-amino-4-methylphenyl)dibenzofuran-4-carboxamide
CID 141034650
11-methyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene
CID 123841957
1-(3-methylphenyl)dibenzofuran-4-carboximidamide
CID 142453012

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(prop-1-en-2-yl)dibenzofuran-1-amine?
The IUPAC name of 2,4-bis(prop-1-en-2-yl)dibenzofuran-1-amine (CID 58401033) is 2,4-bis(prop-1-en-2-yl)dibenzofuran-1-amine.
What is the SMILES notation for 2,4-bis(prop-1-en-2-yl)dibenzofuran-1-amine?
The canonical SMILES for 2,4-bis(prop-1-en-2-yl)dibenzofuran-1-amine is C=C(C)c1cc(C(=C)C)c2oc3ccccc3c2c1N.
What is the InChIKey of 2,4-bis(prop-1-en-2-yl)dibenzofuran-1-amine?
The InChIKey is OOEOLVOSYGLJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c1-10(2)13-9-14(11(3)4)18-16(17(13)19)12-7-5-6-8-15(12)20-18/h5-9H,1,3,19H2,2,4H3.
What are the key properties of 2,4-bis(prop-1-en-2-yl)dibenzofuran-1-amine?
2,4-bis(prop-1-en-2-yl)dibenzofuran-1-amine has a molecular weight of 263.34 g/mol, XLogP of 5.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(prop-1-en-2-yl)dibenzofuran-1-amine is sourced from PubChem (CID 58401033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).