(3-bromo-4-methylphenyl)-(2,5-dimethylfuran-3-yl)methanamine

C14H16BrNO — CID 81472595

IUPAC(3-bromo-4-methylphenyl)-(2,5-dimethylfuran-3-yl)methanamine
SMILESCc1cc(C(N)c2ccc(C)c(Br)c2)c(C)o1
InChIInChI=1S/C14H16BrNO/c1-8-4-5-11(7-13(8)15)14(16)12-6-9(2)17-10(12)3/h4-7,14H,16H2,1-3H3
InChIKeyDNYDLAQBOMLQHF-UHFFFAOYSA-N
MW294.19 g/mol
LogP4.02
Rot. Bonds2

About (3-bromo-4-methylphenyl)-(2,5-dimethylfuran-3-yl)methanamine

(3-bromo-4-methylphenyl)-(2,5-dimethylfuran-3-yl)methanamine (PubChem CID 81472595) has the molecular formula C14H16BrNO and a molecular weight of 294.19 g/mol. Its IUPAC name is (3-bromo-4-methylphenyl)-(2,5-dimethylfuran-3-yl)methanamine.

Molecular Properties

Compound Name(3-bromo-4-methylphenyl)-(2,5-dimethylfuran-3-yl)methanamine
PubChem CID81472595
Molecular FormulaC14H16BrNO
Molecular Weight294.19 g/mol
Exact Mass293.04
IUPAC Name(3-bromo-4-methylphenyl)-(2,5-dimethylfuran-3-yl)methanamine
SMILESCc1cc(C(N)c2ccc(C)c(Br)c2)c(C)o1
InChIInChI=1S/C14H16BrNO/c1-8-4-5-11(7-13(8)15)14(16)12-6-9(2)17-10(12)3/h4-7,14H,16H2,1-3H3
InChIKeyDNYDLAQBOMLQHF-UHFFFAOYSA-N
XLogP4.02
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-4-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanamine
CID 115483674
(3-bromo-4-methylphenyl)-(4-bromophenyl)methanamine
CID 81472586
2,3-dihydro-1,4-benzodioxin-6-yl-(2,5-dimethylfuran-3-yl)methanamine
CID 43463994
(3-bromo-4-methylphenyl)-(4-methoxy-2-methylphenyl)methanamine
CID 81472440
(3-bromo-4-methylphenyl)-[2-(trifluoromethyl)phenyl]methanamine
CID 115853868
(2,5-dimethylfuran-3-yl)-[2,4-di(propan-2-yl)phenyl]methanamine
CID 43464318
(2,5-dimethylfuran-3-yl)-(4-propylphenyl)methanamine
CID 43384416
(2-bromo-4-chlorophenyl)-(2,5-dimethylfuran-3-yl)methanamine
CID 107987487
(3-bromo-5-chlorophenyl)-(2,5-dimethylfuran-3-yl)methanamine
CID 107950523
(3-bromo-4-methylphenyl)-(2,3,5,6-tetramethylphenyl)methanamine
CID 81472287
1-(3-bromo-4-methylphenyl)ethanamine
CID 70795886
(3-bromo-4-methylphenyl)-(5-ethylfuran-2-yl)methanamine
CID 81472297

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methylphenyl)-(2,5-dimethylfuran-3-yl)methanamine?
The IUPAC name of (3-bromo-4-methylphenyl)-(2,5-dimethylfuran-3-yl)methanamine (CID 81472595) is (3-bromo-4-methylphenyl)-(2,5-dimethylfuran-3-yl)methanamine.
What is the SMILES notation for (3-bromo-4-methylphenyl)-(2,5-dimethylfuran-3-yl)methanamine?
The canonical SMILES for (3-bromo-4-methylphenyl)-(2,5-dimethylfuran-3-yl)methanamine is Cc1cc(C(N)c2ccc(C)c(Br)c2)c(C)o1.
What is the InChIKey of (3-bromo-4-methylphenyl)-(2,5-dimethylfuran-3-yl)methanamine?
The InChIKey is DNYDLAQBOMLQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO/c1-8-4-5-11(7-13(8)15)14(16)12-6-9(2)17-10(12)3/h4-7,14H,16H2,1-3H3.
What are the key properties of (3-bromo-4-methylphenyl)-(2,5-dimethylfuran-3-yl)methanamine?
(3-bromo-4-methylphenyl)-(2,5-dimethylfuran-3-yl)methanamine has a molecular weight of 294.19 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methylphenyl)-(2,5-dimethylfuran-3-yl)methanamine is sourced from PubChem (CID 81472595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).