N-[(3-methylfuran-2-yl)methyl]-1-(4-methylphenyl)propan-1-amine

C16H21NO — CID 115651392

IUPACN-[(3-methylfuran-2-yl)methyl]-1-(4-methylphenyl)propan-1-amine
SMILESCCC(NCc1occc1C)c1ccc(C)cc1
InChIInChI=1S/C16H21NO/c1-4-15(14-7-5-12(2)6-8-14)17-11-16-13(3)9-10-18-16/h5-10,15,17H,4,11H2,1-3H3
InChIKeyXEOQLAKSHSORRE-UHFFFAOYSA-N
MW243.35 g/mol
LogP4.14
Rot. Bonds5

About N-[(3-methylfuran-2-yl)methyl]-1-(4-methylphenyl)propan-1-amine

N-[(3-methylfuran-2-yl)methyl]-1-(4-methylphenyl)propan-1-amine (PubChem CID 115651392) 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-(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound NameN-[(3-methylfuran-2-yl)methyl]-1-(4-methylphenyl)propan-1-amine
PubChem CID115651392
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC NameN-[(3-methylfuran-2-yl)methyl]-1-(4-methylphenyl)propan-1-amine
SMILESCCC(NCc1occc1C)c1ccc(C)cc1
InChIInChI=1S/C16H21NO/c1-4-15(14-7-5-12(2)6-8-14)17-11-16-13(3)9-10-18-16/h5-10,15,17H,4,11H2,1-3H3
InChIKeyXEOQLAKSHSORRE-UHFFFAOYSA-N
XLogP4.14
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 ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-N-[(3-methylfuran-2-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 113488659
N-[(3-methylfuran-2-yl)methyl]-1-phenylbutan-1-amine
CID 115651539
(1R)-1-(4-bromophenyl)-N-[(3-methylfuran-2-yl)methyl]ethanamine
CID 114985843
2,6-dimethyl-4-[[1-(4-methylphenyl)propylamino]methyl]phenol
CID 43221263
1-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]propan-1-amine
CID 43081616
N-[(3-methylfuran-2-yl)methyl]-1-phenylethanamine
CID 115651338
2-[(3-methylfuran-2-yl)methylamino]propan-1-ol
CID 115656397
1-(4-methylphenyl)-N-[(3-methylphenyl)methyl]propan-1-amine
CID 43080790
1-(4-methylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 43714916
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(4-methylphenyl)propan-1-amine
CID 113350444
2-[[(1R)-1-(4-methylphenyl)propyl]amino]ethanol
CID 29083030
5-[[1-(4-methylphenyl)propylamino]methyl]thiophene-2-carbonitrile
CID 115675381

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylfuran-2-yl)methyl]-1-(4-methylphenyl)propan-1-amine?
The IUPAC name of N-[(3-methylfuran-2-yl)methyl]-1-(4-methylphenyl)propan-1-amine (CID 115651392) is N-[(3-methylfuran-2-yl)methyl]-1-(4-methylphenyl)propan-1-amine.
What is the SMILES notation for N-[(3-methylfuran-2-yl)methyl]-1-(4-methylphenyl)propan-1-amine?
The canonical SMILES for N-[(3-methylfuran-2-yl)methyl]-1-(4-methylphenyl)propan-1-amine is CCC(NCc1occc1C)c1ccc(C)cc1.
What is the InChIKey of N-[(3-methylfuran-2-yl)methyl]-1-(4-methylphenyl)propan-1-amine?
The InChIKey is XEOQLAKSHSORRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-4-15(14-7-5-12(2)6-8-14)17-11-16-13(3)9-10-18-16/h5-10,15,17H,4,11H2,1-3H3.
What are the key properties of N-[(3-methylfuran-2-yl)methyl]-1-(4-methylphenyl)propan-1-amine?
N-[(3-methylfuran-2-yl)methyl]-1-(4-methylphenyl)propan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 4.14, 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-(4-methylphenyl)propan-1-amine is sourced from PubChem (CID 115651392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).