N'-[1-(furan-2-yl)ethyl]-N,N-dimethyl-1-phenylethane-1,2-diamine

C16H22N2O — CID 43201793

IUPACN'-[1-(furan-2-yl)ethyl]-N,N-dimethyl-1-phenylethane-1,2-diamine
SMILESCC(NCC(c1ccccc1)N(C)C)c1ccco1
InChIInChI=1S/C16H22N2O/c1-13(16-10-7-11-19-16)17-12-15(18(2)3)14-8-5-4-6-9-14/h4-11,13,15,17H,12H2,1-3H3
InChIKeyLRPPHDXMBNWMMQ-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.23
Rot. Bonds6

About N'-[1-(furan-2-yl)ethyl]-N,N-dimethyl-1-phenylethane-1,2-diamine

N'-[1-(furan-2-yl)ethyl]-N,N-dimethyl-1-phenylethane-1,2-diamine (PubChem CID 43201793) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is N'-[1-(furan-2-yl)ethyl]-N,N-dimethyl-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[1-(furan-2-yl)ethyl]-N,N-dimethyl-1-phenylethane-1,2-diamine
PubChem CID43201793
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC NameN'-[1-(furan-2-yl)ethyl]-N,N-dimethyl-1-phenylethane-1,2-diamine
SMILESCC(NCC(c1ccccc1)N(C)C)c1ccco1
InChIInChI=1S/C16H22N2O/c1-13(16-10-7-11-19-16)17-12-15(18(2)3)14-8-5-4-6-9-14/h4-11,13,15,17H,12H2,1-3H3
InChIKeyLRPPHDXMBNWMMQ-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-yl)-N'-[1-(furan-2-yl)ethyl]-N,N-dimethylethane-1,2-diamine
CID 43202373
N-[(1S)-1-(furan-2-yl)ethyl]-3-methyl-2-phenylbutan-1-amine
CID 107876308
N,N-dimethyl-N'-[1-(5-methylfuran-2-yl)ethyl]-1-phenylethane-1,2-diamine
CID 43201795
3-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-phenylpropanoic acid
CID 81399651
1-(furan-2-yl)-N'-[1-(4-methoxyphenyl)ethyl]-N,N-dimethylethane-1,2-diamine
CID 43202375
N'-[1-(3-fluorophenyl)ethyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 43202397
N'-[1-(3-bromophenyl)ethyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 43202354
(1R)-N-[1-(furan-2-yl)ethyl]-1-phenylethanamine
CID 81351264
N-[1-(furan-2-yl)ethyl]-1-phenylethanamine
CID 43177136
3-ethyl-1-N-[1-(furan-2-yl)ethyl]-2-N,2-N-dimethylpentane-1,2-diamine
CID 43208007
1-(furan-2-yl)-N'-[1-(3-methoxyphenyl)ethyl]-N,N-dimethylethane-1,2-diamine
CID 43202378
N'-[1-(2-fluorophenyl)ethyl]-N,N-dimethyl-1-phenylethane-1,2-diamine
CID 43201789

Frequently Asked Questions

What is the IUPAC name of N'-[1-(furan-2-yl)ethyl]-N,N-dimethyl-1-phenylethane-1,2-diamine?
The IUPAC name of N'-[1-(furan-2-yl)ethyl]-N,N-dimethyl-1-phenylethane-1,2-diamine (CID 43201793) is N'-[1-(furan-2-yl)ethyl]-N,N-dimethyl-1-phenylethane-1,2-diamine.
What is the SMILES notation for N'-[1-(furan-2-yl)ethyl]-N,N-dimethyl-1-phenylethane-1,2-diamine?
The canonical SMILES for N'-[1-(furan-2-yl)ethyl]-N,N-dimethyl-1-phenylethane-1,2-diamine is CC(NCC(c1ccccc1)N(C)C)c1ccco1.
What is the InChIKey of N'-[1-(furan-2-yl)ethyl]-N,N-dimethyl-1-phenylethane-1,2-diamine?
The InChIKey is LRPPHDXMBNWMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-13(16-10-7-11-19-16)17-12-15(18(2)3)14-8-5-4-6-9-14/h4-11,13,15,17H,12H2,1-3H3.
What are the key properties of N'-[1-(furan-2-yl)ethyl]-N,N-dimethyl-1-phenylethane-1,2-diamine?
N'-[1-(furan-2-yl)ethyl]-N,N-dimethyl-1-phenylethane-1,2-diamine has a molecular weight of 258.37 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(furan-2-yl)ethyl]-N,N-dimethyl-1-phenylethane-1,2-diamine is sourced from PubChem (CID 43201793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).