1-(3-methoxyphenyl)-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine

C16H28N2O — CID 55000916

IUPAC1-(3-methoxyphenyl)-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine
SMILESCOc1cccc(C(N)CN(C)C(C)CC(C)C)c1
InChIInChI=1S/C16H28N2O/c1-12(2)9-13(3)18(4)11-16(17)14-7-6-8-15(10-14)19-5/h6-8,10,12-13,16H,9,11,17H2,1-5H3
InChIKeyYMHOFKGPYQNSNI-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.06
Rot. Bonds7

About 1-(3-methoxyphenyl)-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine

1-(3-methoxyphenyl)-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine (PubChem CID 55000916) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine
PubChem CID55000916
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-(3-methoxyphenyl)-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine
SMILESCOc1cccc(C(N)CN(C)C(C)CC(C)C)c1
InChIInChI=1S/C16H28N2O/c1-12(2)9-13(3)18(4)11-16(17)14-7-6-8-15(10-14)19-5/h6-8,10,12-13,16H,9,11,17H2,1-5H3
InChIKeyYMHOFKGPYQNSNI-UHFFFAOYSA-N
XLogP3.06
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[2-amino-2-(3-methoxyphenyl)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103188425
(1R)-1-(3-methoxyphenyl)-4-methylpentan-1-amine;hydrochloride
CID 171200212
1-(3-methoxyphenyl)-3-methylhexan-1-amine
CID 62605848
1-(3-methoxyphenyl)ethane-1,2-diamine;dihydrochloride
CID 138109115
(1R)-1-(3-methoxyphenyl)hexan-1-amine
CID 94505781
4-fluoro-4-(3-methoxyphenyl)butan-2-amine
CID 105450757
N',N'-diethyl-1-(3-methoxyphenyl)propane-1,3-diamine
CID 79087795
N'-(cyclobutylmethyl)-1-(3-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 62862003
(1S)-1-(3-methoxyphenyl)hexan-1-amine;hydrochloride
CID 171219723
1-(3-methoxyphenyl)ethanamine;hydrochloride
CID 19864848
methane;(1R)-1-(3-methoxyphenyl)ethanamine
CID 160746722
(1S)-1,2-bis(3-methoxyphenyl)ethanamine
CID 40618709

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine?
The IUPAC name of 1-(3-methoxyphenyl)-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine (CID 55000916) is 1-(3-methoxyphenyl)-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-(3-methoxyphenyl)-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine?
The canonical SMILES for 1-(3-methoxyphenyl)-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine is COc1cccc(C(N)CN(C)C(C)CC(C)C)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine?
The InChIKey is YMHOFKGPYQNSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-12(2)9-13(3)18(4)11-16(17)14-7-6-8-15(10-14)19-5/h6-8,10,12-13,16H,9,11,17H2,1-5H3.
What are the key properties of 1-(3-methoxyphenyl)-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine?
1-(3-methoxyphenyl)-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine has a molecular weight of 264.41 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 55000916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).