N'-butan-2-yl-1-(2-methoxy-5-methylphenyl)-N'-methylethane-1,2-diamine

C15H26N2O — CID 43272869

IUPACN'-butan-2-yl-1-(2-methoxy-5-methylphenyl)-N'-methylethane-1,2-diamine
SMILESCCC(C)N(C)CC(N)c1cc(C)ccc1OC
InChIInChI=1S/C15H26N2O/c1-6-12(3)17(4)10-14(16)13-9-11(2)7-8-15(13)18-5/h7-9,12,14H,6,10,16H2,1-5H3
InChIKeyLONQIZVKPASXSS-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.73
Rot. Bonds6

About N'-butan-2-yl-1-(2-methoxy-5-methylphenyl)-N'-methylethane-1,2-diamine

N'-butan-2-yl-1-(2-methoxy-5-methylphenyl)-N'-methylethane-1,2-diamine (PubChem CID 43272869) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N'-butan-2-yl-1-(2-methoxy-5-methylphenyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-butan-2-yl-1-(2-methoxy-5-methylphenyl)-N'-methylethane-1,2-diamine
PubChem CID43272869
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN'-butan-2-yl-1-(2-methoxy-5-methylphenyl)-N'-methylethane-1,2-diamine
SMILESCCC(C)N(C)CC(N)c1cc(C)ccc1OC
InChIInChI=1S/C15H26N2O/c1-6-12(3)17(4)10-14(16)13-9-11(2)7-8-15(13)18-5/h7-9,12,14H,6,10,16H2,1-5H3
InChIKeyLONQIZVKPASXSS-UHFFFAOYSA-N
XLogP2.73
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-butan-2-yl-1-(2,5-dimethylphenyl)-N'-methylethane-1,2-diamine
CID 43272877
N'-ethyl-1-(2-methoxy-5-methylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 43265729
N'-ethyl-1-(2-methoxy-5-methylphenyl)-N'-(2-methylbutyl)ethane-1,2-diamine
CID 79476746
1-(2-methoxy-5-methylphenyl)-N',N'-bis(2-methylpropyl)ethane-1,2-diamine
CID 61376925
N'-[2-(dimethylamino)ethyl]-1-(2-methoxy-5-methylphenyl)-N'-methylethane-1,2-diamine
CID 63693966
N'-(2-methoxyethyl)-1-(2-methoxy-5-methylphenyl)-N'-methylethane-1,2-diamine
CID 61427087
1-(2-methoxy-5-methylphenyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 60891376
(1R)-1-(2-methoxy-5-methylphenyl)butan-1-amine
CID 55278250
(2S)-2-amino-2-(2-methoxy-5-methylphenyl)ethanol
CID 55278412
1-(2-methoxy-5-methylphenyl)undecan-1-amine
CID 115845828
1-(2-methoxy-5-methylphenyl)decan-1-amine
CID 65449338
2-amino-2-(2-methoxy-5-methylphenyl)-N,N-dimethylethanesulfonamide
CID 82359813

Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-1-(2-methoxy-5-methylphenyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-butan-2-yl-1-(2-methoxy-5-methylphenyl)-N'-methylethane-1,2-diamine (CID 43272869) is N'-butan-2-yl-1-(2-methoxy-5-methylphenyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-butan-2-yl-1-(2-methoxy-5-methylphenyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-butan-2-yl-1-(2-methoxy-5-methylphenyl)-N'-methylethane-1,2-diamine is CCC(C)N(C)CC(N)c1cc(C)ccc1OC.
What is the InChIKey of N'-butan-2-yl-1-(2-methoxy-5-methylphenyl)-N'-methylethane-1,2-diamine?
The InChIKey is LONQIZVKPASXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-6-12(3)17(4)10-14(16)13-9-11(2)7-8-15(13)18-5/h7-9,12,14H,6,10,16H2,1-5H3.
What are the key properties of N'-butan-2-yl-1-(2-methoxy-5-methylphenyl)-N'-methylethane-1,2-diamine?
N'-butan-2-yl-1-(2-methoxy-5-methylphenyl)-N'-methylethane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-1-(2-methoxy-5-methylphenyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 43272869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).