N'-methyl-2-(2-propan-2-ylphenyl)propane-1,3-diamine

C13H22N2 — CID 20546207

IUPACN'-methyl-2-(2-propan-2-ylphenyl)propane-1,3-diamine
SMILESCNCC(CN)c1ccccc1C(C)C
InChIInChI=1S/C13H22N2/c1-10(2)12-6-4-5-7-13(12)11(8-14)9-15-3/h4-7,10-11,15H,8-9,14H2,1-3H3
InChIKeyXBPOFQDSPOOKOB-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.07
Rot. Bonds5

About N'-methyl-2-(2-propan-2-ylphenyl)propane-1,3-diamine

N'-methyl-2-(2-propan-2-ylphenyl)propane-1,3-diamine (PubChem CID 20546207) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N'-methyl-2-(2-propan-2-ylphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-2-(2-propan-2-ylphenyl)propane-1,3-diamine
PubChem CID20546207
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN'-methyl-2-(2-propan-2-ylphenyl)propane-1,3-diamine
SMILESCNCC(CN)c1ccccc1C(C)C
InChIInChI=1S/C13H22N2/c1-10(2)12-6-4-5-7-13(12)11(8-14)9-15-3/h4-7,10-11,15H,8-9,14H2,1-3H3
InChIKeyXBPOFQDSPOOKOB-UHFFFAOYSA-N
XLogP2.07
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-amino-3-(methylamino)propan-2-yl]phenol
CID 20546109
N'-methyl-2-(2-methylsulfanylphenyl)propane-1,3-diamine
CID 20546579
2-(2,3-difluorophenyl)-N'-methylpropane-1,3-diamine
CID 20546582
2-(2-propan-2-ylphenyl)propan-1-amine
CID 82599641
1,2-di(propan-2-yl)benzene;dihydrate
CID 70397314
N'-methyl-1-(2-propan-2-ylphenyl)propane-1,3-diamine
CID 70570359
3-amino-1-(2-propan-2-ylphenyl)propan-1-ol
CID 82605381
2-(3-bromophenyl)-N'-methylpropane-1,3-diamine
CID 20546518
2-[2,6-bis(methylsulfinyl)phenyl]-N'-methylpropane-1,3-diamine
CID 20546354
(2-propan-2-ylphenyl)methanamine
CID 15040708
ethane;N-methyl-1-(2-propan-2-ylphenyl)methanamine
CID 177247543
2-(3-ethoxyphenyl)-N'-methylpropane-1,3-diamine
CID 20546345

Frequently Asked Questions

What is the IUPAC name of N'-methyl-2-(2-propan-2-ylphenyl)propane-1,3-diamine?
The IUPAC name of N'-methyl-2-(2-propan-2-ylphenyl)propane-1,3-diamine (CID 20546207) is N'-methyl-2-(2-propan-2-ylphenyl)propane-1,3-diamine.
What is the SMILES notation for N'-methyl-2-(2-propan-2-ylphenyl)propane-1,3-diamine?
The canonical SMILES for N'-methyl-2-(2-propan-2-ylphenyl)propane-1,3-diamine is CNCC(CN)c1ccccc1C(C)C.
What is the InChIKey of N'-methyl-2-(2-propan-2-ylphenyl)propane-1,3-diamine?
The InChIKey is XBPOFQDSPOOKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-10(2)12-6-4-5-7-13(12)11(8-14)9-15-3/h4-7,10-11,15H,8-9,14H2,1-3H3.
What are the key properties of N'-methyl-2-(2-propan-2-ylphenyl)propane-1,3-diamine?
N'-methyl-2-(2-propan-2-ylphenyl)propane-1,3-diamine has a molecular weight of 206.33 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-2-(2-propan-2-ylphenyl)propane-1,3-diamine is sourced from PubChem (CID 20546207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).