N-[(3-methylfuran-2-yl)methyl]-1-(2-methylphenyl)propan-2-amine

C16H21NO — CID 113242970

IUPACN-[(3-methylfuran-2-yl)methyl]-1-(2-methylphenyl)propan-2-amine
SMILESCc1ccccc1CC(C)NCc1occc1C
InChIInChI=1S/C16H21NO/c1-12-6-4-5-7-15(12)10-14(3)17-11-16-13(2)8-9-18-16/h4-9,14,17H,10-11H2,1-3H3
InChIKeyGCFGMZQJZGWRGY-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.62
Rot. Bonds5

About N-[(3-methylfuran-2-yl)methyl]-1-(2-methylphenyl)propan-2-amine

N-[(3-methylfuran-2-yl)methyl]-1-(2-methylphenyl)propan-2-amine (PubChem CID 113242970) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[(3-methylfuran-2-yl)methyl]-1-(2-methylphenyl)propan-2-amine.

Molecular Properties

Compound NameN-[(3-methylfuran-2-yl)methyl]-1-(2-methylphenyl)propan-2-amine
PubChem CID113242970
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC NameN-[(3-methylfuran-2-yl)methyl]-1-(2-methylphenyl)propan-2-amine
SMILESCc1ccccc1CC(C)NCc1occc1C
InChIInChI=1S/C16H21NO/c1-12-6-4-5-7-15(12)10-14(3)17-11-16-13(2)8-9-18-16/h4-9,14,17H,10-11H2,1-3H3
InChIKeyGCFGMZQJZGWRGY-UHFFFAOYSA-N
XLogP3.62
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-methylfuran-2-yl)methylamino]propan-1-ol
CID 115656397
1-(4-bromophenyl)-N-[(3-methylfuran-2-yl)methyl]propan-2-amine
CID 115652236
N-ethyl-1-(2-methylphenyl)propan-2-amine
CID 14025646
N-[(3-methylfuran-2-yl)methyl]-1-phenylethanamine
CID 115651338
N-[(3-methylfuran-2-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 115651503
N-[(3-methylfuran-2-yl)methyl]hept-6-en-2-amine
CID 115908896
1-(2-methylphenyl)-N-(pyridin-4-ylmethyl)propan-2-amine
CID 54864805
N-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methylphenyl)propan-2-amine
CID 62136472
4-[3-[(3-methylfuran-2-yl)methylamino]butyl]phenol
CID 115653278
2,2-dimethyl-N-[1-(2-methylphenyl)propan-2-yl]propan-1-amine
CID 61325570
N-[1-(furan-2-yl)ethyl]-1-(2-methylphenyl)propan-2-amine
CID 54864150
1-(2-methylphenyl)-N-[(4-methylsulfanylphenyl)methyl]propan-2-amine
CID 60943980

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylfuran-2-yl)methyl]-1-(2-methylphenyl)propan-2-amine?
The IUPAC name of N-[(3-methylfuran-2-yl)methyl]-1-(2-methylphenyl)propan-2-amine (CID 113242970) is N-[(3-methylfuran-2-yl)methyl]-1-(2-methylphenyl)propan-2-amine.
What is the SMILES notation for N-[(3-methylfuran-2-yl)methyl]-1-(2-methylphenyl)propan-2-amine?
The canonical SMILES for N-[(3-methylfuran-2-yl)methyl]-1-(2-methylphenyl)propan-2-amine is Cc1ccccc1CC(C)NCc1occc1C.
What is the InChIKey of N-[(3-methylfuran-2-yl)methyl]-1-(2-methylphenyl)propan-2-amine?
The InChIKey is GCFGMZQJZGWRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-12-6-4-5-7-15(12)10-14(3)17-11-16-13(2)8-9-18-16/h4-9,14,17H,10-11H2,1-3H3.
What are the key properties of N-[(3-methylfuran-2-yl)methyl]-1-(2-methylphenyl)propan-2-amine?
N-[(3-methylfuran-2-yl)methyl]-1-(2-methylphenyl)propan-2-amine has a molecular weight of 243.35 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylfuran-2-yl)methyl]-1-(2-methylphenyl)propan-2-amine is sourced from PubChem (CID 113242970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).