(5-methylfuran-3-yl)-(4-propan-2-ylphenyl)methanamine

C15H19NO — CID 114820136

IUPAC(5-methylfuran-3-yl)-(4-propan-2-ylphenyl)methanamine
SMILESCc1cc(C(N)c2ccc(C(C)C)cc2)co1
InChIInChI=1S/C15H19NO/c1-10(2)12-4-6-13(7-5-12)15(16)14-8-11(3)17-9-14/h4-10,15H,16H2,1-3H3
InChIKeyZKRRFNHGWHFAIF-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.76
Rot. Bonds3

About (5-methylfuran-3-yl)-(4-propan-2-ylphenyl)methanamine

(5-methylfuran-3-yl)-(4-propan-2-ylphenyl)methanamine (PubChem CID 114820136) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is (5-methylfuran-3-yl)-(4-propan-2-ylphenyl)methanamine.

Molecular Properties

Compound Name(5-methylfuran-3-yl)-(4-propan-2-ylphenyl)methanamine
PubChem CID114820136
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name(5-methylfuran-3-yl)-(4-propan-2-ylphenyl)methanamine
SMILESCc1cc(C(N)c2ccc(C(C)C)cc2)co1
InChIInChI=1S/C15H19NO/c1-10(2)12-4-6-13(7-5-12)15(16)14-8-11(3)17-9-14/h4-10,15H,16H2,1-3H3
InChIKeyZKRRFNHGWHFAIF-UHFFFAOYSA-N
XLogP3.76
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2,4-di(propan-2-yl)phenyl]-(5-methylfuran-3-yl)methanamine
CID 114819810
(3,5-dimethylphenyl)-(5-methylfuran-3-yl)methanamine
CID 115796793
(5-methylfuran-3-yl)-pyridin-3-ylmethanamine
CID 115799285
(3-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-(5-methylfuran-3-yl)methanamine
CID 114820265
(S)-phenyl-(4-propan-2-ylphenyl)methanamine;hydrochloride
CID 175772829
N-methyl-1-(5-methylfuran-3-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 115844127
(4-propan-2-yloxyphenyl)-(4-propan-2-ylphenyl)methanamine
CID 43120932
(4-fluoro-3-methylphenyl)-(4-propan-2-ylphenyl)methanamine
CID 62789476
(5-methylthiophen-3-yl)-(4-propan-2-ylphenyl)methanamine
CID 65105067
6-[amino-(5-methylfuran-3-yl)methyl]-3H-1,3-benzoxazol-2-one
CID 114819848
6-[amino-(5-methylfuran-3-yl)methyl]-3-methyl-1,3-benzoxazol-2-one
CID 114820197
(3,3-dimethyl-2H-1-benzofuran-5-yl)-(5-methylfuran-3-yl)methanamine
CID 107293503

Frequently Asked Questions

What is the IUPAC name of (5-methylfuran-3-yl)-(4-propan-2-ylphenyl)methanamine?
The IUPAC name of (5-methylfuran-3-yl)-(4-propan-2-ylphenyl)methanamine (CID 114820136) is (5-methylfuran-3-yl)-(4-propan-2-ylphenyl)methanamine.
What is the SMILES notation for (5-methylfuran-3-yl)-(4-propan-2-ylphenyl)methanamine?
The canonical SMILES for (5-methylfuran-3-yl)-(4-propan-2-ylphenyl)methanamine is Cc1cc(C(N)c2ccc(C(C)C)cc2)co1.
What is the InChIKey of (5-methylfuran-3-yl)-(4-propan-2-ylphenyl)methanamine?
The InChIKey is ZKRRFNHGWHFAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-10(2)12-4-6-13(7-5-12)15(16)14-8-11(3)17-9-14/h4-10,15H,16H2,1-3H3.
What are the key properties of (5-methylfuran-3-yl)-(4-propan-2-ylphenyl)methanamine?
(5-methylfuran-3-yl)-(4-propan-2-ylphenyl)methanamine has a molecular weight of 229.32 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylfuran-3-yl)-(4-propan-2-ylphenyl)methanamine is sourced from PubChem (CID 114820136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).