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

C16H22N2O — CID 62631645

IUPAC2-[(dimethylamino)methyl]-N-[1-(furan-2-yl)propyl]aniline
SMILESCCC(Nc1ccccc1CN(C)C)c1ccco1
InChIInChI=1S/C16H22N2O/c1-4-14(16-10-7-11-19-16)17-15-9-6-5-8-13(15)12-18(2)3/h5-11,14,17H,4,12H2,1-3H3
InChIKeyNNUHFAWQIQPLFP-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.90
Rot. Bonds6

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

2-[(dimethylamino)methyl]-N-[1-(furan-2-yl)propyl]aniline (PubChem CID 62631645) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-N-[1-(furan-2-yl)propyl]aniline.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-N-[1-(furan-2-yl)propyl]aniline
PubChem CID62631645
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name2-[(dimethylamino)methyl]-N-[1-(furan-2-yl)propyl]aniline
SMILESCCC(Nc1ccccc1CN(C)C)c1ccco1
InChIInChI=1S/C16H22N2O/c1-4-14(16-10-7-11-19-16)17-15-9-6-5-8-13(15)12-18(2)3/h5-11,14,17H,4,12H2,1-3H3
InChIKeyNNUHFAWQIQPLFP-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

N-[1-(furan-2-yl)propyl]-2-(methoxymethyl)aniline
CID 62631803
2-[2-[1-(furan-2-yl)propylamino]phenyl]acetamide
CID 62632896
4-[(dimethylamino)methyl]-N-[1-(furan-2-yl)propyl]aniline
CID 62633253
N-[1-(4-bromophenyl)propyl]-2-[(dimethylamino)methyl]aniline
CID 43750075
2-(difluoromethylsulfanyl)-N-[1-(furan-2-yl)propyl]aniline
CID 62631784
4-bromo-2-ethyl-N-[1-(furan-2-yl)propyl]aniline
CID 81292021
2-[(dimethylamino)methyl]-N-pentan-2-ylaniline
CID 43750163
2-[2-[(dimethylamino)methyl]anilino]butanoic acid
CID 115353025
N-[[2-[1-(furan-2-yl)ethylamino]phenyl]methyl]-N-methylacetamide
CID 43692114
2-[(dimethylamino)methyl]-N-(2-methoxy-1-phenylethyl)aniline
CID 103463971
4-chloro-2-fluoro-N-[1-(furan-2-yl)propyl]aniline
CID 62632711
5-bromo-N-[1-(furan-2-yl)propyl]-2-methylaniline
CID 62632359

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-N-[1-(furan-2-yl)propyl]aniline?
The IUPAC name of 2-[(dimethylamino)methyl]-N-[1-(furan-2-yl)propyl]aniline (CID 62631645) is 2-[(dimethylamino)methyl]-N-[1-(furan-2-yl)propyl]aniline.
What is the SMILES notation for 2-[(dimethylamino)methyl]-N-[1-(furan-2-yl)propyl]aniline?
The canonical SMILES for 2-[(dimethylamino)methyl]-N-[1-(furan-2-yl)propyl]aniline is CCC(Nc1ccccc1CN(C)C)c1ccco1.
What is the InChIKey of 2-[(dimethylamino)methyl]-N-[1-(furan-2-yl)propyl]aniline?
The InChIKey is NNUHFAWQIQPLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-4-14(16-10-7-11-19-16)17-15-9-6-5-8-13(15)12-18(2)3/h5-11,14,17H,4,12H2,1-3H3.
What are the key properties of 2-[(dimethylamino)methyl]-N-[1-(furan-2-yl)propyl]aniline?
2-[(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 2-[(dimethylamino)methyl]-N-[1-(furan-2-yl)propyl]aniline is sourced from PubChem (CID 62631645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).