2-[4-[[furan-2-ylmethyl(methyl)amino]methyl]phenyl]-N-methylpropan-1-amine

C17H24N2O — CID 105346970

IUPAC2-[4-[[furan-2-ylmethyl(methyl)amino]methyl]phenyl]-N-methylpropan-1-amine
SMILESCNCC(C)c1ccc(CN(C)Cc2ccco2)cc1
InChIInChI=1S/C17H24N2O/c1-14(11-18-2)16-8-6-15(7-9-16)12-19(3)13-17-5-4-10-20-17/h4-10,14,18H,11-13H2,1-3H3
InChIKeyZUUSYNCYLNTHTA-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.23
Rot. Bonds7

About 2-[4-[[furan-2-ylmethyl(methyl)amino]methyl]phenyl]-N-methylpropan-1-amine

2-[4-[[furan-2-ylmethyl(methyl)amino]methyl]phenyl]-N-methylpropan-1-amine (PubChem CID 105346970) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-[4-[[furan-2-ylmethyl(methyl)amino]methyl]phenyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-[4-[[furan-2-ylmethyl(methyl)amino]methyl]phenyl]-N-methylpropan-1-amine
PubChem CID105346970
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2-[4-[[furan-2-ylmethyl(methyl)amino]methyl]phenyl]-N-methylpropan-1-amine
SMILESCNCC(C)c1ccc(CN(C)Cc2ccco2)cc1
InChIInChI=1S/C17H24N2O/c1-14(11-18-2)16-8-6-15(7-9-16)12-19(3)13-17-5-4-10-20-17/h4-10,14,18H,11-13H2,1-3H3
InChIKeyZUUSYNCYLNTHTA-UHFFFAOYSA-N
XLogP3.23
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]phenyl]-N-methylpropan-1-amine
CID 105347344
1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-methylmethanamine;hydrochloride
CID 3028206
N-methyl-N-[[4-[1-(methylamino)propan-2-yl]phenyl]methyl]aniline
CID 105346501
N'-(furan-2-ylmethyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 60843082
N'-(furan-2-ylmethyl)-N,N',2-trimethyl-1-phenylpropane-1,3-diamine
CID 62617540
2-chloro-5-[[furan-2-ylmethyl(methyl)amino]methyl]aniline
CID 43526580
N-cyclopropyl-N'-(furan-2-ylmethyl)-N',2-dimethylpropane-1,3-diamine
CID 62420056
3-[4-[[furan-2-ylmethyl(methyl)amino]methyl]phenyl]prop-2-enoic acid
CID 76908318
N'-(furan-2-ylmethyl)-N,N'-dimethyl-1-(4-methylphenyl)propane-1,3-diamine
CID 62617370
N'-(furan-2-ylmethyl)-N'-methyl-N-(2-methylpropyl)propane-1,3-diamine
CID 62420801
1-(3-bromo-4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylmethanamine
CID 61036810
1-(furan-2-yl)-N-methyl-N-[[1-(methylaminomethyl)cyclohexyl]methyl]methanamine
CID 62258015

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[furan-2-ylmethyl(methyl)amino]methyl]phenyl]-N-methylpropan-1-amine?
The IUPAC name of 2-[4-[[furan-2-ylmethyl(methyl)amino]methyl]phenyl]-N-methylpropan-1-amine (CID 105346970) is 2-[4-[[furan-2-ylmethyl(methyl)amino]methyl]phenyl]-N-methylpropan-1-amine.
What is the SMILES notation for 2-[4-[[furan-2-ylmethyl(methyl)amino]methyl]phenyl]-N-methylpropan-1-amine?
The canonical SMILES for 2-[4-[[furan-2-ylmethyl(methyl)amino]methyl]phenyl]-N-methylpropan-1-amine is CNCC(C)c1ccc(CN(C)Cc2ccco2)cc1.
What is the InChIKey of 2-[4-[[furan-2-ylmethyl(methyl)amino]methyl]phenyl]-N-methylpropan-1-amine?
The InChIKey is ZUUSYNCYLNTHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-14(11-18-2)16-8-6-15(7-9-16)12-19(3)13-17-5-4-10-20-17/h4-10,14,18H,11-13H2,1-3H3.
What are the key properties of 2-[4-[[furan-2-ylmethyl(methyl)amino]methyl]phenyl]-N-methylpropan-1-amine?
2-[4-[[furan-2-ylmethyl(methyl)amino]methyl]phenyl]-N-methylpropan-1-amine has a molecular weight of 272.39 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[furan-2-ylmethyl(methyl)amino]methyl]phenyl]-N-methylpropan-1-amine is sourced from PubChem (CID 105346970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).