[2,4-di(propan-2-yl)phenyl]-(5-methylfuran-3-yl)methanamine

C18H25NO — CID 114819810

IUPAC[2,4-di(propan-2-yl)phenyl]-(5-methylfuran-3-yl)methanamine
SMILESCc1cc(C(N)c2ccc(C(C)C)cc2C(C)C)co1
InChIInChI=1S/C18H25NO/c1-11(2)14-6-7-16(17(9-14)12(3)4)18(19)15-8-13(5)20-10-15/h6-12,18H,19H2,1-5H3
InChIKeyOLMIRQBREVWBEP-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.88
Rot. Bonds4

About [2,4-di(propan-2-yl)phenyl]-(5-methylfuran-3-yl)methanamine

[2,4-di(propan-2-yl)phenyl]-(5-methylfuran-3-yl)methanamine (PubChem CID 114819810) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is [2,4-di(propan-2-yl)phenyl]-(5-methylfuran-3-yl)methanamine.

Molecular Properties

Compound Name[2,4-di(propan-2-yl)phenyl]-(5-methylfuran-3-yl)methanamine
PubChem CID114819810
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name[2,4-di(propan-2-yl)phenyl]-(5-methylfuran-3-yl)methanamine
SMILESCc1cc(C(N)c2ccc(C(C)C)cc2C(C)C)co1
InChIInChI=1S/C18H25NO/c1-11(2)14-6-7-16(17(9-14)12(3)4)18(19)15-8-13(5)20-10-15/h6-12,18H,19H2,1-5H3
InChIKeyOLMIRQBREVWBEP-UHFFFAOYSA-N
XLogP4.88
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-methylfuran-3-yl)-(4-propan-2-ylphenyl)methanamine
CID 114820136
(2,5-dimethylfuran-3-yl)-[2,4-di(propan-2-yl)phenyl]methanamine
CID 43464318
(4-bromophenyl)-[2,4-di(propan-2-yl)phenyl]methanamine
CID 43110162
[2,4-di(propan-2-yl)phenyl]-(5-ethylfuran-2-yl)methanamine
CID 79094081
6-[amino-(5-methylfuran-3-yl)methyl]-3-methyl-1,3-benzoxazol-2-one
CID 114820197
5-[amino-(5-methylfuran-3-yl)methyl]-6-bromo-1,3-dimethylbenzimidazol-2-one
CID 114820218
(2,5-dichlorothiophen-3-yl)-[2,4-di(propan-2-yl)phenyl]methanamine
CID 107960514
3-[chloro-[2,4-di(propan-2-yl)phenyl]methyl]-2-methylfuran
CID 63431355
methane;tris(1-methyl-2,4-di(propan-2-yl)benzene)
CID 159581876
(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(5-methylfuran-3-yl)methanamine
CID 114819851
2-[bromo-[2,4-di(propan-2-yl)phenyl]methyl]-3-methylfuran
CID 63439761
(3-chlorothiophen-2-yl)-[2,4-di(propan-2-yl)phenyl]methanamine
CID 80644294

Frequently Asked Questions

What is the IUPAC name of [2,4-di(propan-2-yl)phenyl]-(5-methylfuran-3-yl)methanamine?
The IUPAC name of [2,4-di(propan-2-yl)phenyl]-(5-methylfuran-3-yl)methanamine (CID 114819810) is [2,4-di(propan-2-yl)phenyl]-(5-methylfuran-3-yl)methanamine.
What is the SMILES notation for [2,4-di(propan-2-yl)phenyl]-(5-methylfuran-3-yl)methanamine?
The canonical SMILES for [2,4-di(propan-2-yl)phenyl]-(5-methylfuran-3-yl)methanamine is Cc1cc(C(N)c2ccc(C(C)C)cc2C(C)C)co1.
What is the InChIKey of [2,4-di(propan-2-yl)phenyl]-(5-methylfuran-3-yl)methanamine?
The InChIKey is OLMIRQBREVWBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-11(2)14-6-7-16(17(9-14)12(3)4)18(19)15-8-13(5)20-10-15/h6-12,18H,19H2,1-5H3.
What are the key properties of [2,4-di(propan-2-yl)phenyl]-(5-methylfuran-3-yl)methanamine?
[2,4-di(propan-2-yl)phenyl]-(5-methylfuran-3-yl)methanamine has a molecular weight of 271.40 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-di(propan-2-yl)phenyl]-(5-methylfuran-3-yl)methanamine is sourced from PubChem (CID 114819810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).