N'-methyl-2-(4-propoxyphenyl)propane-1,3-diamine

C13H22N2O — CID 20546440

IUPACN'-methyl-2-(4-propoxyphenyl)propane-1,3-diamine
SMILESCCCOc1ccc(C(CN)CNC)cc1
InChIInChI=1S/C13H22N2O/c1-3-8-16-13-6-4-11(5-7-13)12(9-14)10-15-2/h4-7,12,15H,3,8-10,14H2,1-2H3
InChIKeyXIRDCXWJUZEEAW-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.74
Rot. Bonds7

About N'-methyl-2-(4-propoxyphenyl)propane-1,3-diamine

N'-methyl-2-(4-propoxyphenyl)propane-1,3-diamine (PubChem CID 20546440) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N'-methyl-2-(4-propoxyphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-2-(4-propoxyphenyl)propane-1,3-diamine
PubChem CID20546440
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN'-methyl-2-(4-propoxyphenyl)propane-1,3-diamine
SMILESCCCOc1ccc(C(CN)CNC)cc1
InChIInChI=1S/C13H22N2O/c1-3-8-16-13-6-4-11(5-7-13)12(9-14)10-15-2/h4-7,12,15H,3,8-10,14H2,1-2H3
InChIKeyXIRDCXWJUZEEAW-UHFFFAOYSA-N
XLogP1.74
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylamino)-1-(4-propoxyphenyl)ethanol
CID 62772547
(1R)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 66516534
1-pentan-3-yl-4-(4-propoxyphenyl)benzene
CID 126760661
(4-methoxyphenyl)-(4-propoxyphenyl)methanamine
CID 62796455
2-(4-ethoxyphenyl)pentan-1-amine
CID 112507782
N-methyl-N-(2-methylsulfanylethyl)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 112658310
2-[2-(4-pentoxyphenyl)butyl]propane-1,3-diamine
CID 83932541
2-[4-[1-amino-3-(4-heptoxyphenyl)propan-2-yl]phenyl]-3-(4-heptoxyphenyl)propan-1-amine
CID 19885129
2-(3-ethoxyphenyl)-N'-methylpropane-1,3-diamine
CID 20546345
1-(4-propoxyphenyl)propan-1-amine
CID 16783118
1-(4-propoxyphenyl)-N-prop-2-ynylethane-1,2-diamine
CID 65380164
N-methyl-N-propan-2-yl-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 62495292

Frequently Asked Questions

What is the IUPAC name of N'-methyl-2-(4-propoxyphenyl)propane-1,3-diamine?
The IUPAC name of N'-methyl-2-(4-propoxyphenyl)propane-1,3-diamine (CID 20546440) is N'-methyl-2-(4-propoxyphenyl)propane-1,3-diamine.
What is the SMILES notation for N'-methyl-2-(4-propoxyphenyl)propane-1,3-diamine?
The canonical SMILES for N'-methyl-2-(4-propoxyphenyl)propane-1,3-diamine is CCCOc1ccc(C(CN)CNC)cc1.
What is the InChIKey of N'-methyl-2-(4-propoxyphenyl)propane-1,3-diamine?
The InChIKey is XIRDCXWJUZEEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-8-16-13-6-4-11(5-7-13)12(9-14)10-15-2/h4-7,12,15H,3,8-10,14H2,1-2H3.
What are the key properties of N'-methyl-2-(4-propoxyphenyl)propane-1,3-diamine?
N'-methyl-2-(4-propoxyphenyl)propane-1,3-diamine has a molecular weight of 222.33 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-2-(4-propoxyphenyl)propane-1,3-diamine is sourced from PubChem (CID 20546440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).