N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(2,4,5-trimethylfuran-3-yl)methanamine

C19H27NO — CID 105050775

IUPACN-methyl-1-[3-(2-methylpropyl)phenyl]-1-(2,4,5-trimethylfuran-3-yl)methanamine
SMILESCNC(c1cccc(CC(C)C)c1)c1c(C)oc(C)c1C
InChIInChI=1S/C19H27NO/c1-12(2)10-16-8-7-9-17(11-16)19(20-6)18-13(3)14(4)21-15(18)5/h7-9,11-12,19-20H,10H2,1-6H3
InChIKeyHQEZOPKCKDZGMZ-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.71
Rot. Bonds5

About N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(2,4,5-trimethylfuran-3-yl)methanamine

N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(2,4,5-trimethylfuran-3-yl)methanamine (PubChem CID 105050775) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(2,4,5-trimethylfuran-3-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(2-methylpropyl)phenyl]-1-(2,4,5-trimethylfuran-3-yl)methanamine
PubChem CID105050775
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC NameN-methyl-1-[3-(2-methylpropyl)phenyl]-1-(2,4,5-trimethylfuran-3-yl)methanamine
SMILESCNC(c1cccc(CC(C)C)c1)c1c(C)oc(C)c1C
InChIInChI=1S/C19H27NO/c1-12(2)10-16-8-7-9-17(11-16)19(20-6)18-13(3)14(4)21-15(18)5/h7-9,11-12,19-20H,10H2,1-6H3
InChIKeyHQEZOPKCKDZGMZ-UHFFFAOYSA-N
XLogP4.71
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 105188112
N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(6-methyl-2-pyridinyl)methanamine
CID 116544315
1-(3-fluoro-4-methylphenyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
CID 116544023
1-(3-chloro-5-methylphenyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
CID 105050891
1-(2-fluorophenyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
CID 116544288
1-(2-fluoro-4-methylphenyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
CID 105050619
1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
CID 105050624
1-(3,5-dimethyl-2-pyridinyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
CID 116545067
N-[(2,5-dimethylfuran-3-yl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine
CID 105050768
N-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
CID 116544032
1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine
CID 65153328
1-(4-butylphenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine
CID 65151645

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(2,4,5-trimethylfuran-3-yl)methanamine?
The IUPAC name of N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(2,4,5-trimethylfuran-3-yl)methanamine (CID 105050775) is N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(2,4,5-trimethylfuran-3-yl)methanamine.
What is the SMILES notation for N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(2,4,5-trimethylfuran-3-yl)methanamine?
The canonical SMILES for N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(2,4,5-trimethylfuran-3-yl)methanamine is CNC(c1cccc(CC(C)C)c1)c1c(C)oc(C)c1C.
What is the InChIKey of N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(2,4,5-trimethylfuran-3-yl)methanamine?
The InChIKey is HQEZOPKCKDZGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-12(2)10-16-8-7-9-17(11-16)19(20-6)18-13(3)14(4)21-15(18)5/h7-9,11-12,19-20H,10H2,1-6H3.
What are the key properties of N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(2,4,5-trimethylfuran-3-yl)methanamine?
N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(2,4,5-trimethylfuran-3-yl)methanamine has a molecular weight of 285.43 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(2,4,5-trimethylfuran-3-yl)methanamine is sourced from PubChem (CID 105050775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).