N'-[(3-chlorophenyl)methyl]-N'-(furan-2-ylmethyl)-2,2-dimethylpropane-1,3-diamine

C17H23ClN2O — CID 23935795

IUPACN'-[(3-chlorophenyl)methyl]-N'-(furan-2-ylmethyl)-2,2-dimethylpropane-1,3-diamine
SMILESCC(C)(CN)CN(Cc1cccc(Cl)c1)Cc1ccco1
InChIInChI=1S/C17H23ClN2O/c1-17(2,12-19)13-20(11-16-7-4-8-21-16)10-14-5-3-6-15(18)9-14/h3-9H,10-13,19H2,1-2H3
InChIKeyHZCYOVYGJZQIQB-UHFFFAOYSA-N
MW306.84 g/mol
LogP3.92
Rot. Bonds7

About N'-[(3-chlorophenyl)methyl]-N'-(furan-2-ylmethyl)-2,2-dimethylpropane-1,3-diamine

N'-[(3-chlorophenyl)methyl]-N'-(furan-2-ylmethyl)-2,2-dimethylpropane-1,3-diamine (PubChem CID 23935795) has the molecular formula C17H23ClN2O and a molecular weight of 306.84 g/mol. Its IUPAC name is N'-[(3-chlorophenyl)methyl]-N'-(furan-2-ylmethyl)-2,2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(3-chlorophenyl)methyl]-N'-(furan-2-ylmethyl)-2,2-dimethylpropane-1,3-diamine
PubChem CID23935795
Molecular FormulaC17H23ClN2O
Molecular Weight306.84 g/mol
Exact Mass306.15
IUPAC NameN'-[(3-chlorophenyl)methyl]-N'-(furan-2-ylmethyl)-2,2-dimethylpropane-1,3-diamine
SMILESCC(C)(CN)CN(Cc1cccc(Cl)c1)Cc1ccco1
InChIInChI=1S/C17H23ClN2O/c1-17(2,12-19)13-20(11-16-7-4-8-21-16)10-14-5-3-6-15(18)9-14/h3-9H,10-13,19H2,1-2H3
InChIKeyHZCYOVYGJZQIQB-UHFFFAOYSA-N
XLogP3.92
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-[(3-chlorophenyl)methyl]-N'-(furan-2-ylmethyl)-2,2-dimethylpropane-1,3-diamine?
The IUPAC name of N'-[(3-chlorophenyl)methyl]-N'-(furan-2-ylmethyl)-2,2-dimethylpropane-1,3-diamine (CID 23935795) is N'-[(3-chlorophenyl)methyl]-N'-(furan-2-ylmethyl)-2,2-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[(3-chlorophenyl)methyl]-N'-(furan-2-ylmethyl)-2,2-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-[(3-chlorophenyl)methyl]-N'-(furan-2-ylmethyl)-2,2-dimethylpropane-1,3-diamine is CC(C)(CN)CN(Cc1cccc(Cl)c1)Cc1ccco1.
What is the InChIKey of N'-[(3-chlorophenyl)methyl]-N'-(furan-2-ylmethyl)-2,2-dimethylpropane-1,3-diamine?
The InChIKey is HZCYOVYGJZQIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O/c1-17(2,12-19)13-20(11-16-7-4-8-21-16)10-14-5-3-6-15(18)9-14/h3-9H,10-13,19H2,1-2H3.
What are the key properties of N'-[(3-chlorophenyl)methyl]-N'-(furan-2-ylmethyl)-2,2-dimethylpropane-1,3-diamine?
N'-[(3-chlorophenyl)methyl]-N'-(furan-2-ylmethyl)-2,2-dimethylpropane-1,3-diamine has a molecular weight of 306.84 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-chlorophenyl)methyl]-N'-(furan-2-ylmethyl)-2,2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 23935795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).