4-[(dimethylamino)methyl]-N-[1-(furan-2-yl)propyl]aniline

C16H22N2O — CID 62633253

IUPAC4-[(dimethylamino)methyl]-N-[1-(furan-2-yl)propyl]aniline
SMILESCCC(Nc1ccc(CN(C)C)cc1)c1ccco1
InChIInChI=1S/C16H22N2O/c1-4-15(16-6-5-11-19-16)17-14-9-7-13(8-10-14)12-18(2)3/h5-11,15,17H,4,12H2,1-3H3
InChIKeyIUOKCVDKFBPSBU-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.90
Rot. Bonds6

About 4-[(dimethylamino)methyl]-N-[1-(furan-2-yl)propyl]aniline

4-[(dimethylamino)methyl]-N-[1-(furan-2-yl)propyl]aniline (PubChem CID 62633253) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-N-[1-(furan-2-yl)propyl]aniline.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-N-[1-(furan-2-yl)propyl]aniline
PubChem CID62633253
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name4-[(dimethylamino)methyl]-N-[1-(furan-2-yl)propyl]aniline
SMILESCCC(Nc1ccc(CN(C)C)cc1)c1ccco1
InChIInChI=1S/C16H22N2O/c1-4-15(16-6-5-11-19-16)17-14-9-7-13(8-10-14)12-18(2)3/h5-11,15,17H,4,12H2,1-3H3
InChIKeyIUOKCVDKFBPSBU-UHFFFAOYSA-N
XLogP3.90
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(dimethylamino)methyl]-N-[1-(furan-2-yl)propyl]aniline
CID 62631645
N-[1-(furan-2-yl)propyl]-4-nitroaniline
CID 62633798
4-[1-(furan-2-yl)propylamino]-N-methylbenzenesulfonamide
CID 62631473
2-[4-[1-(furan-2-yl)propylamino]phenyl]-2-methylpropanenitrile
CID 62632335
N-[1-(furan-2-yl)propyl]-4-(2,2,2-trifluoroethoxy)aniline
CID 62633976
3-fluoro-N-[1-(furan-2-yl)propyl]aniline
CID 62631964
N-[2-(4-chlorophenyl)ethyl]-1-(furan-2-yl)propan-1-amine
CID 55097343
N-cyclopropyl-4-[1-(furan-2-yl)propylamino]benzamide
CID 62631452
4-fluoro-N-[1-(furan-2-yl)propyl]-3-(trifluoromethyl)aniline
CID 62632909
3-[(dimethylamino)methyl]-N-[1-(furan-2-yl)ethyl]aniline
CID 43688829
3-chloro-5-fluoro-N-[1-(furan-2-yl)propyl]aniline
CID 107364032
4-[(dimethylamino)methyl]-N-methylaniline
CID 59619039

Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]-N-[1-(furan-2-yl)propyl]aniline?
The IUPAC name of 4-[(dimethylamino)methyl]-N-[1-(furan-2-yl)propyl]aniline (CID 62633253) is 4-[(dimethylamino)methyl]-N-[1-(furan-2-yl)propyl]aniline.
What is the SMILES notation for 4-[(dimethylamino)methyl]-N-[1-(furan-2-yl)propyl]aniline?
The canonical SMILES for 4-[(dimethylamino)methyl]-N-[1-(furan-2-yl)propyl]aniline is CCC(Nc1ccc(CN(C)C)cc1)c1ccco1.
What is the InChIKey of 4-[(dimethylamino)methyl]-N-[1-(furan-2-yl)propyl]aniline?
The InChIKey is IUOKCVDKFBPSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-4-15(16-6-5-11-19-16)17-14-9-7-13(8-10-14)12-18(2)3/h5-11,15,17H,4,12H2,1-3H3.
What are the key properties of 4-[(dimethylamino)methyl]-N-[1-(furan-2-yl)propyl]aniline?
4-[(dimethylamino)methyl]-N-[1-(furan-2-yl)propyl]aniline has a molecular weight of 258.37 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-N-[1-(furan-2-yl)propyl]aniline is sourced from PubChem (CID 62633253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).