1-(4-methoxyphenyl)-1-N-methyl-1-N-(2-methyloxolan-3-yl)butane-1,2-diamine

C17H28N2O2 — CID 82733107

IUPAC1-(4-methoxyphenyl)-1-N-methyl-1-N-(2-methyloxolan-3-yl)butane-1,2-diamine
SMILESCCC(N)C(c1ccc(OC)cc1)N(C)C1CCOC1C
InChIInChI=1S/C17H28N2O2/c1-5-15(18)17(13-6-8-14(20-4)9-7-13)19(3)16-10-11-21-12(16)2/h6-9,12,15-17H,5,10-11,18H2,1-4H3
InChIKeyXULKIRZRSOOFFK-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.58
Rot. Bonds6

About 1-(4-methoxyphenyl)-1-N-methyl-1-N-(2-methyloxolan-3-yl)butane-1,2-diamine

1-(4-methoxyphenyl)-1-N-methyl-1-N-(2-methyloxolan-3-yl)butane-1,2-diamine (PubChem CID 82733107) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-1-N-methyl-1-N-(2-methyloxolan-3-yl)butane-1,2-diamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-1-N-methyl-1-N-(2-methyloxolan-3-yl)butane-1,2-diamine
PubChem CID82733107
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-(4-methoxyphenyl)-1-N-methyl-1-N-(2-methyloxolan-3-yl)butane-1,2-diamine
SMILESCCC(N)C(c1ccc(OC)cc1)N(C)C1CCOC1C
InChIInChI=1S/C17H28N2O2/c1-5-15(18)17(13-6-8-14(20-4)9-7-13)19(3)16-10-11-21-12(16)2/h6-9,12,15-17H,5,10-11,18H2,1-4H3
InChIKeyXULKIRZRSOOFFK-UHFFFAOYSA-N
XLogP2.58
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-cyclopropyl-1-(4-methoxyphenyl)-1-N-methylbutane-1,2-diamine
CID 55015809
1-(3-fluorophenyl)-1-N-methyl-1-N-(2-methyloxolan-3-yl)butane-1,2-diamine
CID 82732670
(4-methoxyphenyl)-(2-methyloxolan-3-yl)methanamine
CID 79758244
1-N-butan-2-yl-1-(4-methoxyphenyl)-1-N-methylbutane-1,2-diamine
CID 55016003
1-[4-(difluoromethoxy)phenyl]-N-methyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine
CID 82733160
2-[[2-amino-1-(4-methoxyphenyl)butyl]-methylamino]propan-1-ol
CID 104551290
1-(6-methoxy-3-pyridinyl)-N-methyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine
CID 114937259
N-methyl-N-(2-methyloxolan-3-yl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 82734785
2-[[2-amino-1-(4-methoxyphenyl)butyl]-methylamino]acetamide
CID 55016146
1-(4-methoxyphenyl)-2-(2-methyloxolan-3-yl)sulfonylethanamine
CID 107758080
1-(4-chlorophenyl)-1-N-cyclopropyl-1-N-methylbutane-1,2-diamine
CID 55015474
2-[[2-amino-1-(4-methoxyphenyl)butyl]-ethylamino]acetamide
CID 103101362

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-1-N-methyl-1-N-(2-methyloxolan-3-yl)butane-1,2-diamine?
The IUPAC name of 1-(4-methoxyphenyl)-1-N-methyl-1-N-(2-methyloxolan-3-yl)butane-1,2-diamine (CID 82733107) is 1-(4-methoxyphenyl)-1-N-methyl-1-N-(2-methyloxolan-3-yl)butane-1,2-diamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-1-N-methyl-1-N-(2-methyloxolan-3-yl)butane-1,2-diamine?
The canonical SMILES for 1-(4-methoxyphenyl)-1-N-methyl-1-N-(2-methyloxolan-3-yl)butane-1,2-diamine is CCC(N)C(c1ccc(OC)cc1)N(C)C1CCOC1C.
What is the InChIKey of 1-(4-methoxyphenyl)-1-N-methyl-1-N-(2-methyloxolan-3-yl)butane-1,2-diamine?
The InChIKey is XULKIRZRSOOFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-5-15(18)17(13-6-8-14(20-4)9-7-13)19(3)16-10-11-21-12(16)2/h6-9,12,15-17H,5,10-11,18H2,1-4H3.
What are the key properties of 1-(4-methoxyphenyl)-1-N-methyl-1-N-(2-methyloxolan-3-yl)butane-1,2-diamine?
1-(4-methoxyphenyl)-1-N-methyl-1-N-(2-methyloxolan-3-yl)butane-1,2-diamine has a molecular weight of 292.42 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-1-N-methyl-1-N-(2-methyloxolan-3-yl)butane-1,2-diamine is sourced from PubChem (CID 82733107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).