N'-[(3,5-dimethylphenyl)methyl]-N'-phenylpropane-1,3-diamine

C18H24N2 — CID 61029753

IUPACN'-[(3,5-dimethylphenyl)methyl]-N'-phenylpropane-1,3-diamine
SMILESCc1cc(C)cc(CN(CCCN)c2ccccc2)c1
InChIInChI=1S/C18H24N2/c1-15-11-16(2)13-17(12-15)14-20(10-6-9-19)18-7-4-3-5-8-18/h3-5,7-8,11-13H,6,9-10,14,19H2,1-2H3
InChIKeyYWWXWDGKLYVIPV-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.66
Rot. Bonds6

About N'-[(3,5-dimethylphenyl)methyl]-N'-phenylpropane-1,3-diamine

N'-[(3,5-dimethylphenyl)methyl]-N'-phenylpropane-1,3-diamine (PubChem CID 61029753) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N'-[(3,5-dimethylphenyl)methyl]-N'-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(3,5-dimethylphenyl)methyl]-N'-phenylpropane-1,3-diamine
PubChem CID61029753
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC NameN'-[(3,5-dimethylphenyl)methyl]-N'-phenylpropane-1,3-diamine
SMILESCc1cc(C)cc(CN(CCCN)c2ccccc2)c1
InChIInChI=1S/C18H24N2/c1-15-11-16(2)13-17(12-15)14-20(10-6-9-19)18-7-4-3-5-8-18/h3-5,7-8,11-13H,6,9-10,14,19H2,1-2H3
InChIKeyYWWXWDGKLYVIPV-UHFFFAOYSA-N
XLogP3.66
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-[(3,5-dimethylphenyl)methyl]-N'-phenylpropane-1,3-diamine?
The IUPAC name of N'-[(3,5-dimethylphenyl)methyl]-N'-phenylpropane-1,3-diamine (CID 61029753) is N'-[(3,5-dimethylphenyl)methyl]-N'-phenylpropane-1,3-diamine.
What is the SMILES notation for N'-[(3,5-dimethylphenyl)methyl]-N'-phenylpropane-1,3-diamine?
The canonical SMILES for N'-[(3,5-dimethylphenyl)methyl]-N'-phenylpropane-1,3-diamine is Cc1cc(C)cc(CN(CCCN)c2ccccc2)c1.
What is the InChIKey of N'-[(3,5-dimethylphenyl)methyl]-N'-phenylpropane-1,3-diamine?
The InChIKey is YWWXWDGKLYVIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-15-11-16(2)13-17(12-15)14-20(10-6-9-19)18-7-4-3-5-8-18/h3-5,7-8,11-13H,6,9-10,14,19H2,1-2H3.
What are the key properties of N'-[(3,5-dimethylphenyl)methyl]-N'-phenylpropane-1,3-diamine?
N'-[(3,5-dimethylphenyl)methyl]-N'-phenylpropane-1,3-diamine has a molecular weight of 268.40 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3,5-dimethylphenyl)methyl]-N'-phenylpropane-1,3-diamine is sourced from PubChem (CID 61029753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).