N'-(furan-2-ylmethyl)-N,N',2-trimethyl-1-phenylpropane-1,3-diamine

C17H24N2O — CID 62617540

IUPACN'-(furan-2-ylmethyl)-N,N',2-trimethyl-1-phenylpropane-1,3-diamine
SMILESCNC(c1ccccc1)C(C)CN(C)Cc1ccco1
InChIInChI=1S/C17H24N2O/c1-14(12-19(3)13-16-10-7-11-20-16)17(18-2)15-8-5-4-6-9-15/h4-11,14,17-18H,12-13H2,1-3H3
InChIKeyUMBLQJHCSHCFTA-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.31
Rot. Bonds7

About N'-(furan-2-ylmethyl)-N,N',2-trimethyl-1-phenylpropane-1,3-diamine

N'-(furan-2-ylmethyl)-N,N',2-trimethyl-1-phenylpropane-1,3-diamine (PubChem CID 62617540) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N'-(furan-2-ylmethyl)-N,N',2-trimethyl-1-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(furan-2-ylmethyl)-N,N',2-trimethyl-1-phenylpropane-1,3-diamine
PubChem CID62617540
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN'-(furan-2-ylmethyl)-N,N',2-trimethyl-1-phenylpropane-1,3-diamine
SMILESCNC(c1ccccc1)C(C)CN(C)Cc1ccco1
InChIInChI=1S/C17H24N2O/c1-14(12-19(3)13-16-10-7-11-20-16)17(18-2)15-8-5-4-6-9-15/h4-11,14,17-18H,12-13H2,1-3H3
InChIKeyUMBLQJHCSHCFTA-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[furan-2-ylmethyl(methyl)amino]-1-phenylethanol
CID 3412322
N'-(furan-2-ylmethyl)-N'-methyl-1-phenylethane-1,2-diamine
CID 43527008
N,N',2-trimethyl-N'-(2-methylbutyl)-1-phenylpropane-1,3-diamine
CID 62619073
2-[methyl-[2-methyl-3-(methylamino)-3-phenylpropyl]amino]ethanol
CID 55098990
5-[methyl-[2-methyl-3-(methylamino)-3-phenylpropyl]amino]pentan-1-ol
CID 107204642
1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-methylmethanamine;hydrochloride
CID 3028206
1-[[methyl-[2-methyl-3-(methylamino)-3-phenylpropyl]amino]methyl]cyclopentan-1-ol
CID 114953543
N-benzhydryl-2-[furan-2-ylmethyl(methyl)amino]acetamide
CID 9333528
N'-(furan-2-ylmethyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 60843082
N,N',2-trimethyl-N'-(1-methylsulfanylpropan-2-yl)-1-phenylpropane-1,3-diamine
CID 112665001
2-[4-[[furan-2-ylmethyl(methyl)amino]methyl]phenyl]-N-methylpropan-1-amine
CID 105346970
N-cyclopropyl-N'-(furan-2-ylmethyl)-N',2-dimethylpropane-1,3-diamine
CID 62420056

Frequently Asked Questions

What is the IUPAC name of N'-(furan-2-ylmethyl)-N,N',2-trimethyl-1-phenylpropane-1,3-diamine?
The IUPAC name of N'-(furan-2-ylmethyl)-N,N',2-trimethyl-1-phenylpropane-1,3-diamine (CID 62617540) is N'-(furan-2-ylmethyl)-N,N',2-trimethyl-1-phenylpropane-1,3-diamine.
What is the SMILES notation for N'-(furan-2-ylmethyl)-N,N',2-trimethyl-1-phenylpropane-1,3-diamine?
The canonical SMILES for N'-(furan-2-ylmethyl)-N,N',2-trimethyl-1-phenylpropane-1,3-diamine is CNC(c1ccccc1)C(C)CN(C)Cc1ccco1.
What is the InChIKey of N'-(furan-2-ylmethyl)-N,N',2-trimethyl-1-phenylpropane-1,3-diamine?
The InChIKey is UMBLQJHCSHCFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-14(12-19(3)13-16-10-7-11-20-16)17(18-2)15-8-5-4-6-9-15/h4-11,14,17-18H,12-13H2,1-3H3.
What are the key properties of N'-(furan-2-ylmethyl)-N,N',2-trimethyl-1-phenylpropane-1,3-diamine?
N'-(furan-2-ylmethyl)-N,N',2-trimethyl-1-phenylpropane-1,3-diamine has a molecular weight of 272.39 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(furan-2-ylmethyl)-N,N',2-trimethyl-1-phenylpropane-1,3-diamine is sourced from PubChem (CID 62617540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).