2-N-(furan-2-ylmethyl)-2-N-methyl-3-phenylbutane-1,2-diamine

C16H22N2O — CID 61099442

IUPAC2-N-(furan-2-ylmethyl)-2-N-methyl-3-phenylbutane-1,2-diamine
SMILESCC(c1ccccc1)C(CN)N(C)Cc1ccco1
InChIInChI=1S/C16H22N2O/c1-13(14-7-4-3-5-8-14)16(11-17)18(2)12-15-9-6-10-19-15/h3-10,13,16H,11-12,17H2,1-2H3
InChIKeyYHFVDORSWBMCEU-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.84
Rot. Bonds6

About 2-N-(furan-2-ylmethyl)-2-N-methyl-3-phenylbutane-1,2-diamine

2-N-(furan-2-ylmethyl)-2-N-methyl-3-phenylbutane-1,2-diamine (PubChem CID 61099442) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-N-(furan-2-ylmethyl)-2-N-methyl-3-phenylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(furan-2-ylmethyl)-2-N-methyl-3-phenylbutane-1,2-diamine
PubChem CID61099442
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name2-N-(furan-2-ylmethyl)-2-N-methyl-3-phenylbutane-1,2-diamine
SMILESCC(c1ccccc1)C(CN)N(C)Cc1ccco1
InChIInChI=1S/C16H22N2O/c1-13(14-7-4-3-5-8-14)16(11-17)18(2)12-15-9-6-10-19-15/h3-10,13,16H,11-12,17H2,1-2H3
InChIKeyYHFVDORSWBMCEU-UHFFFAOYSA-N
XLogP2.84
TPSA42.40 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 ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(furan-2-ylmethyl)-N-methyl-2-phenylpropanamide
CID 62878878
N'-(furan-2-ylmethyl)-N'-methyl-1-phenylethane-1,2-diamine
CID 43527008
2-N,2-N-bis(furan-2-ylmethyl)propane-1,2-diamine
CID 174709691
2-[furan-2-ylmethyl(methyl)amino]propanenitrile
CID 60643804
N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)-N-methylethanamine
CID 50969326
2-[furan-2-ylmethyl(methyl)amino]-1-phenylethanol
CID 3412322
N'-(furan-2-ylmethyl)-N',2-dimethylbutane-1,4-diamine
CID 81079891
2-N-methyl-3-phenyl-2-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine
CID 63206599
N'-(furan-2-ylmethyl)-N,N',2-trimethyl-1-phenylpropane-1,3-diamine
CID 62617540
N-(furan-2-ylmethyl)-3-hydroxy-2-phenyl-N-propan-2-ylpropanamide
CID 154832743
1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-methylmethanamine;hydrochloride
CID 3028206
2-N-(furan-2-ylmethyl)-2-N-methyl-1-N-(3-methylbutyl)propane-1,2-diamine
CID 62569525

Frequently Asked Questions

What is the IUPAC name of 2-N-(furan-2-ylmethyl)-2-N-methyl-3-phenylbutane-1,2-diamine?
The IUPAC name of 2-N-(furan-2-ylmethyl)-2-N-methyl-3-phenylbutane-1,2-diamine (CID 61099442) is 2-N-(furan-2-ylmethyl)-2-N-methyl-3-phenylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(furan-2-ylmethyl)-2-N-methyl-3-phenylbutane-1,2-diamine?
The canonical SMILES for 2-N-(furan-2-ylmethyl)-2-N-methyl-3-phenylbutane-1,2-diamine is CC(c1ccccc1)C(CN)N(C)Cc1ccco1.
What is the InChIKey of 2-N-(furan-2-ylmethyl)-2-N-methyl-3-phenylbutane-1,2-diamine?
The InChIKey is YHFVDORSWBMCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-13(14-7-4-3-5-8-14)16(11-17)18(2)12-15-9-6-10-19-15/h3-10,13,16H,11-12,17H2,1-2H3.
What are the key properties of 2-N-(furan-2-ylmethyl)-2-N-methyl-3-phenylbutane-1,2-diamine?
2-N-(furan-2-ylmethyl)-2-N-methyl-3-phenylbutane-1,2-diamine has a molecular weight of 258.37 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(furan-2-ylmethyl)-2-N-methyl-3-phenylbutane-1,2-diamine is sourced from PubChem (CID 61099442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).