(2,5-dimethylfuran-3-yl)-(4-propylphenyl)methanamine

C16H21NO — CID 43384416

IUPAC(2,5-dimethylfuran-3-yl)-(4-propylphenyl)methanamine
SMILESCCCc1ccc(C(N)c2cc(C)oc2C)cc1
InChIInChI=1S/C16H21NO/c1-4-5-13-6-8-14(9-7-13)16(17)15-10-11(2)18-12(15)3/h6-10,16H,4-5,17H2,1-3H3
InChIKeySFVPDQLLIRTCNB-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.90
Rot. Bonds4

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

(2,5-dimethylfuran-3-yl)-(4-propylphenyl)methanamine (PubChem CID 43384416) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-(4-propylphenyl)methanamine.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl)-(4-propylphenyl)methanamine
PubChem CID43384416
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name(2,5-dimethylfuran-3-yl)-(4-propylphenyl)methanamine
SMILESCCCc1ccc(C(N)c2cc(C)oc2C)cc1
InChIInChI=1S/C16H21NO/c1-4-5-13-6-8-14(9-7-13)16(17)15-10-11(2)18-12(15)3/h6-10,16H,4-5,17H2,1-3H3
InChIKeySFVPDQLLIRTCNB-UHFFFAOYSA-N
XLogP3.90
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-butylphenyl)-(2,5-dimethylfuran-3-yl)methanamine
CID 43464336
3-[chloro-(4-propylphenyl)methyl]-2,5-dimethylfuran
CID 63432646
1-(4-butylphenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
CID 43484298
(3-bromo-4-methylphenyl)-(2,5-dimethylfuran-3-yl)methanamine
CID 81472595
(2,5-dimethylfuran-3-yl)-(3-propoxyphenyl)methanamine
CID 62919680
(2,5-dimethylfuran-3-yl)-[2,4-di(propan-2-yl)phenyl]methanamine
CID 43464318
2,3-dihydro-1,4-benzodioxin-6-yl-(2,5-dimethylfuran-3-yl)methanamine
CID 43463994
1-(2,5-dimethylfuran-3-yl)-N-methyl-1-(3-propylphenyl)methanamine
CID 105050302
(3-methylfuran-2-yl)-(4-propylphenyl)methanamine
CID 43464290
(2-bromo-4-chlorophenyl)-(4-propylphenyl)methanamine
CID 107987302
(1S)-1-(4-propylphenyl)ethanamine
CID 7047688
furan-2-yl-(4-propylphenyl)methanamine
CID 43464285

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-yl)-(4-propylphenyl)methanamine?
The IUPAC name of (2,5-dimethylfuran-3-yl)-(4-propylphenyl)methanamine (CID 43384416) is (2,5-dimethylfuran-3-yl)-(4-propylphenyl)methanamine.
What is the SMILES notation for (2,5-dimethylfuran-3-yl)-(4-propylphenyl)methanamine?
The canonical SMILES for (2,5-dimethylfuran-3-yl)-(4-propylphenyl)methanamine is CCCc1ccc(C(N)c2cc(C)oc2C)cc1.
What is the InChIKey of (2,5-dimethylfuran-3-yl)-(4-propylphenyl)methanamine?
The InChIKey is SFVPDQLLIRTCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-4-5-13-6-8-14(9-7-13)16(17)15-10-11(2)18-12(15)3/h6-10,16H,4-5,17H2,1-3H3.
What are the key properties of (2,5-dimethylfuran-3-yl)-(4-propylphenyl)methanamine?
(2,5-dimethylfuran-3-yl)-(4-propylphenyl)methanamine has a molecular weight of 243.35 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylfuran-3-yl)-(4-propylphenyl)methanamine is sourced from PubChem (CID 43384416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).