1-(2,3-dihydrofuran-5-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine

C14H19NO — CID 102653596

IUPAC1-(2,3-dihydrofuran-5-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
SMILESCNC(C1=CCCO1)c1cc(C)cc(C)c1
InChIInChI=1S/C14H19NO/c1-10-7-11(2)9-12(8-10)14(15-3)13-5-4-6-16-13/h5,7-9,14-15H,4,6H2,1-3H3
InChIKeyRDHAHRDCIDCKSN-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.87
Rot. Bonds3

About 1-(2,3-dihydrofuran-5-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine

1-(2,3-dihydrofuran-5-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine (PubChem CID 102653596) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-5-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-5-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
PubChem CID102653596
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-(2,3-dihydrofuran-5-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
SMILESCNC(C1=CCCO1)c1cc(C)cc(C)c1
InChIInChI=1S/C14H19NO/c1-10-7-11(2)9-12(8-10)14(15-3)13-5-4-6-16-13/h5,7-9,14-15H,4,6H2,1-3H3
InChIKeyRDHAHRDCIDCKSN-UHFFFAOYSA-N
XLogP2.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-5-methylphenyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine
CID 102652981
[2,3-dihydrofuran-5-yl-(3,5-dimethylphenyl)methyl]hydrazine
CID 102654461
1-(3-bromo-5-methylphenyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine
CID 102648834
1-(2,3-dihydrofuran-5-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 102651298
2,3-dihydrofuran-5-yl-(3,5-dimethylphenyl)methanamine
CID 102653132
1-(3,4-dichlorophenyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine
CID 102652031
1-(5-bromothiophen-3-yl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine
CID 102652893
1-(2,3-dihydrofuran-5-yl)-N-methyl-1-(4-methyl-2-pyridinyl)methanamine
CID 102651549
1-(2,3-dihydrofuran-5-yl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 102652299
N-[2,3-dihydrofuran-5-yl-(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 102653514
1-(2,3-dihydrofuran-5-yl)-N-methyl-1-(5-methylpyrazin-2-yl)methanamine
CID 102653543
1-(2,3-dihydrofuran-5-yl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 102651314

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrofuran-5-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2,3-dihydrofuran-5-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine (CID 102653596) is 1-(2,3-dihydrofuran-5-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,3-dihydrofuran-5-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2,3-dihydrofuran-5-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine is CNC(C1=CCCO1)c1cc(C)cc(C)c1.
What is the InChIKey of 1-(2,3-dihydrofuran-5-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine?
The InChIKey is RDHAHRDCIDCKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-10-7-11(2)9-12(8-10)14(15-3)13-5-4-6-16-13/h5,7-9,14-15H,4,6H2,1-3H3.
What are the key properties of 1-(2,3-dihydrofuran-5-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine?
1-(2,3-dihydrofuran-5-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine has a molecular weight of 217.31 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydrofuran-5-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 102653596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).