N-(furan-2-ylmethyl)-N'-(1-phenylpropyl)ethane-1,2-diamine

C16H22N2O — CID 54809598

IUPACN-(furan-2-ylmethyl)-N'-(1-phenylpropyl)ethane-1,2-diamine
SMILESCCC(NCCNCc1ccco1)c1ccccc1
InChIInChI=1S/C16H22N2O/c1-2-16(14-7-4-3-5-8-14)18-11-10-17-13-15-9-6-12-19-15/h3-9,12,16-18H,2,10-11,13H2,1H3
InChIKeyBDQCSAWBIGMIEB-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.11
Rot. Bonds8

About N-(furan-2-ylmethyl)-N'-(1-phenylpropyl)ethane-1,2-diamine

N-(furan-2-ylmethyl)-N'-(1-phenylpropyl)ethane-1,2-diamine (PubChem CID 54809598) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N'-(1-phenylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N'-(1-phenylpropyl)ethane-1,2-diamine
PubChem CID54809598
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC NameN-(furan-2-ylmethyl)-N'-(1-phenylpropyl)ethane-1,2-diamine
SMILESCCC(NCCNCc1ccco1)c1ccccc1
InChIInChI=1S/C16H22N2O/c1-2-16(14-7-4-3-5-8-14)18-11-10-17-13-15-9-6-12-19-15/h3-9,12,16-18H,2,10-11,13H2,1H3
InChIKeyBDQCSAWBIGMIEB-UHFFFAOYSA-N
XLogP3.11
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N'-(1-phenylpropyl)ethane-1,2-diamine
CID 54807226
N'-(1-phenylpropyl)-N-propylethane-1,2-diamine
CID 54810053
N-(furan-2-ylmethyl)-2,2-diphenylethanamine
CID 103603203
N-(furan-2-ylmethyl)-3-methyl-2-phenylpentan-1-amine
CID 54884385
N-(furan-2-ylmethyl)-1,1-diphenylmethanamine
CID 15830516
methyl 3-(furan-2-ylmethylamino)-3-phenylpropanoate
CID 83320549
1-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)propan-1-amine
CID 43200433
N-[2-(furan-2-ylmethylsulfanyl)-1-phenylethyl]propan-1-amine
CID 64609476
(3S)-1-N-(furan-2-ylmethyl)butane-1,3-diamine
CID 66594455
(3R)-N-(furan-2-ylmethyl)-3,4-diphenylbutan-1-amine
CID 40900150
1-(furan-2-ylmethoxy)-3-(1-phenylpropylamino)propan-2-ol
CID 62306419
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(furan-2-ylmethyl)propan-1-amine
CID 43754954

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N'-(1-phenylpropyl)ethane-1,2-diamine?
The IUPAC name of N-(furan-2-ylmethyl)-N'-(1-phenylpropyl)ethane-1,2-diamine (CID 54809598) is N-(furan-2-ylmethyl)-N'-(1-phenylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N-(furan-2-ylmethyl)-N'-(1-phenylpropyl)ethane-1,2-diamine?
The canonical SMILES for N-(furan-2-ylmethyl)-N'-(1-phenylpropyl)ethane-1,2-diamine is CCC(NCCNCc1ccco1)c1ccccc1.
What is the InChIKey of N-(furan-2-ylmethyl)-N'-(1-phenylpropyl)ethane-1,2-diamine?
The InChIKey is BDQCSAWBIGMIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-2-16(14-7-4-3-5-8-14)18-11-10-17-13-15-9-6-12-19-15/h3-9,12,16-18H,2,10-11,13H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-N'-(1-phenylpropyl)ethane-1,2-diamine?
N-(furan-2-ylmethyl)-N'-(1-phenylpropyl)ethane-1,2-diamine has a molecular weight of 258.37 g/mol, XLogP of 3.11, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N'-(1-phenylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 54809598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).