N'-(3,5-dimethylphenyl)-N',2-dimethyl-2-phenylpropane-1,3-diamine

C19H26N2 — CID 62260652

IUPACN'-(3,5-dimethylphenyl)-N',2-dimethyl-2-phenylpropane-1,3-diamine
SMILESCc1cc(C)cc(N(C)CC(C)(CN)c2ccccc2)c1
InChIInChI=1S/C19H26N2/c1-15-10-16(2)12-18(11-15)21(4)14-19(3,13-20)17-8-6-5-7-9-17/h5-12H,13-14,20H2,1-4H3
InChIKeyQNNBKCMFUZRQAG-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.66
Rot. Bonds5

About N'-(3,5-dimethylphenyl)-N',2-dimethyl-2-phenylpropane-1,3-diamine

N'-(3,5-dimethylphenyl)-N',2-dimethyl-2-phenylpropane-1,3-diamine (PubChem CID 62260652) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N'-(3,5-dimethylphenyl)-N',2-dimethyl-2-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(3,5-dimethylphenyl)-N',2-dimethyl-2-phenylpropane-1,3-diamine
PubChem CID62260652
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC NameN'-(3,5-dimethylphenyl)-N',2-dimethyl-2-phenylpropane-1,3-diamine
SMILESCc1cc(C)cc(N(C)CC(C)(CN)c2ccccc2)c1
InChIInChI=1S/C19H26N2/c1-15-10-16(2)12-18(11-15)21(4)14-19(3,13-20)17-8-6-5-7-9-17/h5-12H,13-14,20H2,1-4H3
InChIKeyQNNBKCMFUZRQAG-UHFFFAOYSA-N
XLogP3.66
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
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)-N',2-dimethyl-2-phenylpropane-1,3-diamine?
The IUPAC name of N'-(3,5-dimethylphenyl)-N',2-dimethyl-2-phenylpropane-1,3-diamine (CID 62260652) is N'-(3,5-dimethylphenyl)-N',2-dimethyl-2-phenylpropane-1,3-diamine.
What is the SMILES notation for N'-(3,5-dimethylphenyl)-N',2-dimethyl-2-phenylpropane-1,3-diamine?
The canonical SMILES for N'-(3,5-dimethylphenyl)-N',2-dimethyl-2-phenylpropane-1,3-diamine is Cc1cc(C)cc(N(C)CC(C)(CN)c2ccccc2)c1.
What is the InChIKey of N'-(3,5-dimethylphenyl)-N',2-dimethyl-2-phenylpropane-1,3-diamine?
The InChIKey is QNNBKCMFUZRQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-15-10-16(2)12-18(11-15)21(4)14-19(3,13-20)17-8-6-5-7-9-17/h5-12H,13-14,20H2,1-4H3.
What are the key properties of N'-(3,5-dimethylphenyl)-N',2-dimethyl-2-phenylpropane-1,3-diamine?
N'-(3,5-dimethylphenyl)-N',2-dimethyl-2-phenylpropane-1,3-diamine has a molecular weight of 282.43 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-dimethylphenyl)-N',2-dimethyl-2-phenylpropane-1,3-diamine is sourced from PubChem (CID 62260652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).