N',2-dimethyl-N'-[(2-methylfuran-3-yl)methyl]-2-phenylpropane-1,3-diamine

C17H24N2O — CID 62260747

IUPACN',2-dimethyl-N'-[(2-methylfuran-3-yl)methyl]-2-phenylpropane-1,3-diamine
SMILESCc1occc1CN(C)CC(C)(CN)c1ccccc1
InChIInChI=1S/C17H24N2O/c1-14-15(9-10-20-14)11-19(3)13-17(2,12-18)16-7-5-4-6-8-16/h4-10H,11-13,18H2,1-3H3
InChIKeyKERHOSXXRKGYOO-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.94
Rot. Bonds6

About N',2-dimethyl-N'-[(2-methylfuran-3-yl)methyl]-2-phenylpropane-1,3-diamine

N',2-dimethyl-N'-[(2-methylfuran-3-yl)methyl]-2-phenylpropane-1,3-diamine (PubChem CID 62260747) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N',2-dimethyl-N'-[(2-methylfuran-3-yl)methyl]-2-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN',2-dimethyl-N'-[(2-methylfuran-3-yl)methyl]-2-phenylpropane-1,3-diamine
PubChem CID62260747
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN',2-dimethyl-N'-[(2-methylfuran-3-yl)methyl]-2-phenylpropane-1,3-diamine
SMILESCc1occc1CN(C)CC(C)(CN)c1ccccc1
InChIInChI=1S/C17H24N2O/c1-14-15(9-10-20-14)11-19(3)13-17(2,12-18)16-7-5-4-6-8-16/h4-10H,11-13,18H2,1-3H3
InChIKeyKERHOSXXRKGYOO-UHFFFAOYSA-N
XLogP2.94
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N',2-dimethyl-N'-[(2-methylfuran-3-yl)methyl]-2-phenylpropane-1,3-diamine?
The IUPAC name of N',2-dimethyl-N'-[(2-methylfuran-3-yl)methyl]-2-phenylpropane-1,3-diamine (CID 62260747) is N',2-dimethyl-N'-[(2-methylfuran-3-yl)methyl]-2-phenylpropane-1,3-diamine.
What is the SMILES notation for N',2-dimethyl-N'-[(2-methylfuran-3-yl)methyl]-2-phenylpropane-1,3-diamine?
The canonical SMILES for N',2-dimethyl-N'-[(2-methylfuran-3-yl)methyl]-2-phenylpropane-1,3-diamine is Cc1occc1CN(C)CC(C)(CN)c1ccccc1.
What is the InChIKey of N',2-dimethyl-N'-[(2-methylfuran-3-yl)methyl]-2-phenylpropane-1,3-diamine?
The InChIKey is KERHOSXXRKGYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-14-15(9-10-20-14)11-19(3)13-17(2,12-18)16-7-5-4-6-8-16/h4-10H,11-13,18H2,1-3H3.
What are the key properties of N',2-dimethyl-N'-[(2-methylfuran-3-yl)methyl]-2-phenylpropane-1,3-diamine?
N',2-dimethyl-N'-[(2-methylfuran-3-yl)methyl]-2-phenylpropane-1,3-diamine has a molecular weight of 272.39 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',2-dimethyl-N'-[(2-methylfuran-3-yl)methyl]-2-phenylpropane-1,3-diamine is sourced from PubChem (CID 62260747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).