1-(2-methoxy-5-methylphenyl)-N',N'-bis(2-methylpropyl)ethane-1,2-diamine

C18H32N2O — CID 61376925

IUPAC1-(2-methoxy-5-methylphenyl)-N',N'-bis(2-methylpropyl)ethane-1,2-diamine
SMILESCOc1ccc(C)cc1C(N)CN(CC(C)C)CC(C)C
InChIInChI=1S/C18H32N2O/c1-13(2)10-20(11-14(3)4)12-17(19)16-9-15(5)7-8-18(16)21-6/h7-9,13-14,17H,10-12,19H2,1-6H3
InChIKeyMKFOVQMKPXNZPO-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.62
Rot. Bonds8

About 1-(2-methoxy-5-methylphenyl)-N',N'-bis(2-methylpropyl)ethane-1,2-diamine

1-(2-methoxy-5-methylphenyl)-N',N'-bis(2-methylpropyl)ethane-1,2-diamine (PubChem CID 61376925) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-N',N'-bis(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-N',N'-bis(2-methylpropyl)ethane-1,2-diamine
PubChem CID61376925
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name1-(2-methoxy-5-methylphenyl)-N',N'-bis(2-methylpropyl)ethane-1,2-diamine
SMILESCOc1ccc(C)cc1C(N)CN(CC(C)C)CC(C)C
InChIInChI=1S/C18H32N2O/c1-13(2)10-20(11-14(3)4)12-17(19)16-9-15(5)7-8-18(16)21-6/h7-9,13-14,17H,10-12,19H2,1-6H3
InChIKeyMKFOVQMKPXNZPO-UHFFFAOYSA-N
XLogP3.62
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-ethyl-1-(2-methoxy-5-methylphenyl)-N'-(2-methylbutyl)ethane-1,2-diamine
CID 79476746
N'-[2-(dimethylamino)ethyl]-1-(2-methoxy-5-methylphenyl)-N'-methylethane-1,2-diamine
CID 63693966
N'-ethyl-1-(2-methoxy-5-methylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 43265729
N'-butan-2-yl-1-(2-methoxy-5-methylphenyl)-N'-methylethane-1,2-diamine
CID 43272869
(2S)-2-amino-2-(2-methoxy-5-methylphenyl)ethanol
CID 55278412
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
1-(2-methoxy-5-methylphenyl)-2-(4-methylpentan-2-yloxy)ethanamine
CID 43183961
1-(2-methoxy-5-methylphenyl)-2-(3-methylbutylsulfinyl)ethanamine
CID 107760481
[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]azanium
CID 7047666
1-(2-methoxy-5-methylphenyl)undecan-1-amine
CID 115845828

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-N',N'-bis(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-N',N'-bis(2-methylpropyl)ethane-1,2-diamine (CID 61376925) is 1-(2-methoxy-5-methylphenyl)-N',N'-bis(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-N',N'-bis(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-N',N'-bis(2-methylpropyl)ethane-1,2-diamine is COc1ccc(C)cc1C(N)CN(CC(C)C)CC(C)C.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-N',N'-bis(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is MKFOVQMKPXNZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-13(2)10-20(11-14(3)4)12-17(19)16-9-15(5)7-8-18(16)21-6/h7-9,13-14,17H,10-12,19H2,1-6H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-N',N'-bis(2-methylpropyl)ethane-1,2-diamine?
1-(2-methoxy-5-methylphenyl)-N',N'-bis(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 292.47 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-N',N'-bis(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 61376925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).