[4-[5-[4-(diaminomethyl)phenyl]furan-2-yl]phenyl]methanediamine

C18H20N4O — CID 21146399

IUPAC[4-[5-[4-(diaminomethyl)phenyl]furan-2-yl]phenyl]methanediamine
SMILESNC(N)c1ccc(-c2ccc(-c3ccc(C(N)N)cc3)o2)cc1
InChIInChI=1S/C18H20N4O/c19-17(20)13-5-1-11(2-6-13)15-9-10-16(23-15)12-3-7-14(8-4-12)18(21)22/h1-10,17-18H,19-22H2
InChIKeyLVLAFOVQKALIOI-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.45
Rot. Bonds4

About [4-[5-[4-(diaminomethyl)phenyl]furan-2-yl]phenyl]methanediamine

[4-[5-[4-(diaminomethyl)phenyl]furan-2-yl]phenyl]methanediamine (PubChem CID 21146399) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is [4-[5-[4-(diaminomethyl)phenyl]furan-2-yl]phenyl]methanediamine.

Molecular Properties

Compound Name[4-[5-[4-(diaminomethyl)phenyl]furan-2-yl]phenyl]methanediamine
PubChem CID21146399
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name[4-[5-[4-(diaminomethyl)phenyl]furan-2-yl]phenyl]methanediamine
SMILESNC(N)c1ccc(-c2ccc(-c3ccc(C(N)N)cc3)o2)cc1
InChIInChI=1S/C18H20N4O/c19-17(20)13-5-1-11(2-6-13)15-9-10-16(23-15)12-3-7-14(8-4-12)18(21)22/h1-10,17-18H,19-22H2
InChIKeyLVLAFOVQKALIOI-UHFFFAOYSA-N
XLogP2.45
TPSA117.22 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[5-[4-(diaminomethyl)phenyl]furan-2-yl]phenyl]methanediamine?
The IUPAC name of [4-[5-[4-(diaminomethyl)phenyl]furan-2-yl]phenyl]methanediamine (CID 21146399) is [4-[5-[4-(diaminomethyl)phenyl]furan-2-yl]phenyl]methanediamine.
What is the SMILES notation for [4-[5-[4-(diaminomethyl)phenyl]furan-2-yl]phenyl]methanediamine?
The canonical SMILES for [4-[5-[4-(diaminomethyl)phenyl]furan-2-yl]phenyl]methanediamine is NC(N)c1ccc(-c2ccc(-c3ccc(C(N)N)cc3)o2)cc1.
What is the InChIKey of [4-[5-[4-(diaminomethyl)phenyl]furan-2-yl]phenyl]methanediamine?
The InChIKey is LVLAFOVQKALIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c19-17(20)13-5-1-11(2-6-13)15-9-10-16(23-15)12-3-7-14(8-4-12)18(21)22/h1-10,17-18H,19-22H2.
What are the key properties of [4-[5-[4-(diaminomethyl)phenyl]furan-2-yl]phenyl]methanediamine?
[4-[5-[4-(diaminomethyl)phenyl]furan-2-yl]phenyl]methanediamine has a molecular weight of 308.39 g/mol, XLogP of 2.45, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-[4-(diaminomethyl)phenyl]furan-2-yl]phenyl]methanediamine is sourced from PubChem (CID 21146399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).