2-[2-(2-methoxy-6-methylphenyl)butyl]propane-1,3-diamine

C15H26N2O — CID 83923858

IUPAC2-[2-(2-methoxy-6-methylphenyl)butyl]propane-1,3-diamine
SMILESCCC(CC(CN)CN)c1c(C)cccc1OC
InChIInChI=1S/C15H26N2O/c1-4-13(8-12(9-16)10-17)15-11(2)6-5-7-14(15)18-3/h5-7,12-13H,4,8-10,16-17H2,1-3H3
InChIKeyAGBAICDPHAZSDD-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.42
Rot. Bonds7

About 2-[2-(2-methoxy-6-methylphenyl)butyl]propane-1,3-diamine

2-[2-(2-methoxy-6-methylphenyl)butyl]propane-1,3-diamine (PubChem CID 83923858) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-[2-(2-methoxy-6-methylphenyl)butyl]propane-1,3-diamine.

Molecular Properties

Compound Name2-[2-(2-methoxy-6-methylphenyl)butyl]propane-1,3-diamine
PubChem CID83923858
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-[2-(2-methoxy-6-methylphenyl)butyl]propane-1,3-diamine
SMILESCCC(CC(CN)CN)c1c(C)cccc1OC
InChIInChI=1S/C15H26N2O/c1-4-13(8-12(9-16)10-17)15-11(2)6-5-7-14(15)18-3/h5-7,12-13H,4,8-10,16-17H2,1-3H3
InChIKeyAGBAICDPHAZSDD-UHFFFAOYSA-N
XLogP2.42
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-methoxy-6-methylphenyl)heptan-2-amine
CID 83923910
1-(2-methoxy-6-methylphenyl)ethane-1,2-diamine
CID 55283458
2-[2-(2,3,4-trimethoxyphenyl)butyl]propane-1,3-diamine
CID 83934049
3-(2-methoxy-6-methylphenyl)pentyl thiocyanate
CID 112717425
2-[2-(2-methoxy-6-methylphenyl)ethyl]propane-1,3-diamine
CID 83923856
(2S)-2-amino-2-(2-methoxy-6-methylphenyl)ethanol
CID 638516
2-[2-[2-methoxy-4-(trifluoromethyl)phenyl]butyl]propane-1,3-diamine
CID 83921384
1-(2,6-dimethoxyphenyl)ethane-1,2-diamine
CID 22756535
(1S)-1-(2,6-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201155
(1R)-1-(2,6-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 171201163
2-(aminomethyl)-4-(4-methoxy-2,5-dimethylphenyl)hexan-1-ol
CID 83927780
2-[2-(2-chloro-4,5-dimethylphenyl)butyl]propane-1,3-diamine
CID 83931457

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxy-6-methylphenyl)butyl]propane-1,3-diamine?
The IUPAC name of 2-[2-(2-methoxy-6-methylphenyl)butyl]propane-1,3-diamine (CID 83923858) is 2-[2-(2-methoxy-6-methylphenyl)butyl]propane-1,3-diamine.
What is the SMILES notation for 2-[2-(2-methoxy-6-methylphenyl)butyl]propane-1,3-diamine?
The canonical SMILES for 2-[2-(2-methoxy-6-methylphenyl)butyl]propane-1,3-diamine is CCC(CC(CN)CN)c1c(C)cccc1OC.
What is the InChIKey of 2-[2-(2-methoxy-6-methylphenyl)butyl]propane-1,3-diamine?
The InChIKey is AGBAICDPHAZSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-13(8-12(9-16)10-17)15-11(2)6-5-7-14(15)18-3/h5-7,12-13H,4,8-10,16-17H2,1-3H3.
What are the key properties of 2-[2-(2-methoxy-6-methylphenyl)butyl]propane-1,3-diamine?
2-[2-(2-methoxy-6-methylphenyl)butyl]propane-1,3-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxy-6-methylphenyl)butyl]propane-1,3-diamine is sourced from PubChem (CID 83923858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).