N-methyl-1-(5-methylfuran-2-yl)-1-[4-(2-methylpropyl)phenyl]methanamine

C17H23NO — CID 43480502

IUPACN-methyl-1-(5-methylfuran-2-yl)-1-[4-(2-methylpropyl)phenyl]methanamine
SMILESCNC(c1ccc(CC(C)C)cc1)c1ccc(C)o1
InChIInChI=1S/C17H23NO/c1-12(2)11-14-6-8-15(9-7-14)17(18-4)16-10-5-13(3)19-16/h5-10,12,17-18H,11H2,1-4H3
InChIKeyUUSNEDRGLDWDAD-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.10
Rot. Bonds5

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

N-methyl-1-(5-methylfuran-2-yl)-1-[4-(2-methylpropyl)phenyl]methanamine (PubChem CID 43480502) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is N-methyl-1-(5-methylfuran-2-yl)-1-[4-(2-methylpropyl)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(5-methylfuran-2-yl)-1-[4-(2-methylpropyl)phenyl]methanamine
PubChem CID43480502
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC NameN-methyl-1-(5-methylfuran-2-yl)-1-[4-(2-methylpropyl)phenyl]methanamine
SMILESCNC(c1ccc(CC(C)C)cc1)c1ccc(C)o1
InChIInChI=1S/C17H23NO/c1-12(2)11-14-6-8-15(9-7-14)17(18-4)16-10-5-13(3)19-16/h5-10,12,17-18H,11H2,1-4H3
InChIKeyUUSNEDRGLDWDAD-UHFFFAOYSA-N
XLogP4.10
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(5-methylfuran-2-yl)-1-phenylmethanamine
CID 43481483
1-(4-ethylphenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 43480542
1-(4-methoxyphenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 43480574
N-methyl-1-[4-(2-methylpropyl)phenyl]-1-(4-methylsulfanylphenyl)methanamine
CID 79212501
N-methyl-1-(5-methylfuran-2-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 43480600
1-(3,4-difluorophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 43480546
1-(4-chloro-3-methoxyphenyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine
CID 105006756
1-(3-chloro-5-methylphenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 81315749
1-(5-fluoro-2-methylphenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 63509375
1-(2-fluorophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 43480563
1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine
CID 43487598
1-(5-bromothiophen-3-yl)-N-methyl-1-(5-methylfuran-2-yl)methanamine
CID 107960898

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methylfuran-2-yl)-1-[4-(2-methylpropyl)phenyl]methanamine?
The IUPAC name of N-methyl-1-(5-methylfuran-2-yl)-1-[4-(2-methylpropyl)phenyl]methanamine (CID 43480502) is N-methyl-1-(5-methylfuran-2-yl)-1-[4-(2-methylpropyl)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-(5-methylfuran-2-yl)-1-[4-(2-methylpropyl)phenyl]methanamine?
The canonical SMILES for N-methyl-1-(5-methylfuran-2-yl)-1-[4-(2-methylpropyl)phenyl]methanamine is CNC(c1ccc(CC(C)C)cc1)c1ccc(C)o1.
What is the InChIKey of N-methyl-1-(5-methylfuran-2-yl)-1-[4-(2-methylpropyl)phenyl]methanamine?
The InChIKey is UUSNEDRGLDWDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-12(2)11-14-6-8-15(9-7-14)17(18-4)16-10-5-13(3)19-16/h5-10,12,17-18H,11H2,1-4H3.
What are the key properties of N-methyl-1-(5-methylfuran-2-yl)-1-[4-(2-methylpropyl)phenyl]methanamine?
N-methyl-1-(5-methylfuran-2-yl)-1-[4-(2-methylpropyl)phenyl]methanamine has a molecular weight of 257.38 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methylfuran-2-yl)-1-[4-(2-methylpropyl)phenyl]methanamine is sourced from PubChem (CID 43480502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).