2-methyl-N-phenyl-N'-propan-2-ylpropane-1,3-diamine

C13H22N2 — CID 22075486

IUPAC2-methyl-N-phenyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCC(CNc1ccccc1)CNC(C)C
InChIInChI=1S/C13H22N2/c1-11(2)14-9-12(3)10-15-13-7-5-4-6-8-13/h4-8,11-12,14-15H,9-10H2,1-3H3
InChIKeyGETQGCFKIURVIP-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.73
Rot. Bonds6

About 2-methyl-N-phenyl-N'-propan-2-ylpropane-1,3-diamine

2-methyl-N-phenyl-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 22075486) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-methyl-N-phenyl-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound Name2-methyl-N-phenyl-N'-propan-2-ylpropane-1,3-diamine
PubChem CID22075486
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name2-methyl-N-phenyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCC(CNc1ccccc1)CNC(C)C
InChIInChI=1S/C13H22N2/c1-11(2)14-9-12(3)10-15-13-7-5-4-6-8-13/h4-8,11-12,14-15H,9-10H2,1-3H3
InChIKeyGETQGCFKIURVIP-UHFFFAOYSA-N
XLogP2.73
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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3-anilino-2-methylpropane-1-sulfonic acid
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N-(2-methylsulfanylpropyl)aniline
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(2R)-3-methyl-1-N-phenylbutane-1,2-diamine
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N-(2,3,5-trimethylhexyl)aniline
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N-[2-(azocan-1-yl)propyl]aniline
CID 62558695
2-N-(2-methoxyethyl)-1-N-phenylpropane-1,2-diamine
CID 62570682
1-anilino-2-methylpentan-3-ol
CID 69294698
3-anilino-2-methylpropanethioamide
CID 82075999
1-anilino-3,3-dimethylbutan-2-ol
CID 10607819

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-phenyl-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of 2-methyl-N-phenyl-N'-propan-2-ylpropane-1,3-diamine (CID 22075486) is 2-methyl-N-phenyl-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for 2-methyl-N-phenyl-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for 2-methyl-N-phenyl-N'-propan-2-ylpropane-1,3-diamine is CC(CNc1ccccc1)CNC(C)C.
What is the InChIKey of 2-methyl-N-phenyl-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is GETQGCFKIURVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-11(2)14-9-12(3)10-15-13-7-5-4-6-8-13/h4-8,11-12,14-15H,9-10H2,1-3H3.
What are the key properties of 2-methyl-N-phenyl-N'-propan-2-ylpropane-1,3-diamine?
2-methyl-N-phenyl-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 206.33 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-phenyl-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 22075486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).