[5-(3-methylphenyl)furan-2-yl]methanamine

C12H13NO — CID 28804201

IUPAC[5-(3-methylphenyl)furan-2-yl]methanamine
SMILESCc1cccc(-c2ccc(CN)o2)c1
InChIInChI=1S/C12H13NO/c1-9-3-2-4-10(7-9)12-6-5-11(8-13)14-12/h2-7H,8,13H2,1H3
InChIKeyUARFICCUXWEOQE-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.71
Rot. Bonds2

About [5-(3-methylphenyl)furan-2-yl]methanamine

[5-(3-methylphenyl)furan-2-yl]methanamine (PubChem CID 28804201) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is [5-(3-methylphenyl)furan-2-yl]methanamine.

Molecular Properties

Compound Name[5-(3-methylphenyl)furan-2-yl]methanamine
PubChem CID28804201
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name[5-(3-methylphenyl)furan-2-yl]methanamine
SMILESCc1cccc(-c2ccc(CN)o2)c1
InChIInChI=1S/C12H13NO/c1-9-3-2-4-10(7-9)12-6-5-11(8-13)14-12/h2-7H,8,13H2,1H3
InChIKeyUARFICCUXWEOQE-UHFFFAOYSA-N
XLogP2.71
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-(3-methoxyphenyl)furan-2-yl]methanamine
CID 43826373
3-[[5-(3-methylphenyl)furan-2-yl]methoxy]propan-1-amine
CID 112518464
2-[5-(3-methylphenyl)furan-2-yl]acetic acid
CID 35754290
N-[[5-(3-methylphenyl)furan-2-yl]methyl]propan-1-amine
CID 43624804
1-[5-(3-methylphenyl)furan-2-yl]propan-1-ol
CID 62633648
[5-(3,4,5-trifluorophenyl)furan-2-yl]methanamine
CID 62812550
N'-hydroxy-5-(3-methylphenyl)furan-2-carboximidamide
CID 54267096
4,9,14-tris(3-methylphenyl)-3,8,13-trioxatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene
CID 102106371
2,6-bis(3-methylphenyl)pyran-4-one
CID 73055523
(5-pyridin-4-ylfuran-2-yl)methanamine
CID 72716677
5-(3-methylphenyl)furan-2-carboxylate
CID 6957364
[1-methyl-4-(3-methylphenyl)pyrrol-2-yl]methanamine
CID 117001466

Frequently Asked Questions

What is the IUPAC name of [5-(3-methylphenyl)furan-2-yl]methanamine?
The IUPAC name of [5-(3-methylphenyl)furan-2-yl]methanamine (CID 28804201) is [5-(3-methylphenyl)furan-2-yl]methanamine.
What is the SMILES notation for [5-(3-methylphenyl)furan-2-yl]methanamine?
The canonical SMILES for [5-(3-methylphenyl)furan-2-yl]methanamine is Cc1cccc(-c2ccc(CN)o2)c1.
What is the InChIKey of [5-(3-methylphenyl)furan-2-yl]methanamine?
The InChIKey is UARFICCUXWEOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-9-3-2-4-10(7-9)12-6-5-11(8-13)14-12/h2-7H,8,13H2,1H3.
What are the key properties of [5-(3-methylphenyl)furan-2-yl]methanamine?
[5-(3-methylphenyl)furan-2-yl]methanamine has a molecular weight of 187.24 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methylphenyl)furan-2-yl]methanamine is sourced from PubChem (CID 28804201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).