N-methyl-N-(oxan-4-yl)-1-(4-propoxyphenyl)ethane-1,2-diamine

C17H28N2O2 — CID 62495950

IUPACN-methyl-N-(oxan-4-yl)-1-(4-propoxyphenyl)ethane-1,2-diamine
SMILESCCCOc1ccc(C(CN)N(C)C2CCOCC2)cc1
InChIInChI=1S/C17H28N2O2/c1-3-10-21-16-6-4-14(5-7-16)17(13-18)19(2)15-8-11-20-12-9-15/h4-7,15,17H,3,8-13,18H2,1-2H3
InChIKeyIWAQVSKHHRAYJB-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.59
Rot. Bonds7

About N-methyl-N-(oxan-4-yl)-1-(4-propoxyphenyl)ethane-1,2-diamine

N-methyl-N-(oxan-4-yl)-1-(4-propoxyphenyl)ethane-1,2-diamine (PubChem CID 62495950) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-methyl-N-(oxan-4-yl)-1-(4-propoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N-(oxan-4-yl)-1-(4-propoxyphenyl)ethane-1,2-diamine
PubChem CID62495950
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-methyl-N-(oxan-4-yl)-1-(4-propoxyphenyl)ethane-1,2-diamine
SMILESCCCOc1ccc(C(CN)N(C)C2CCOCC2)cc1
InChIInChI=1S/C17H28N2O2/c1-3-10-21-16-6-4-14(5-7-16)17(13-18)19(2)15-8-11-20-12-9-15/h4-7,15,17H,3,8-13,18H2,1-2H3
InChIKeyIWAQVSKHHRAYJB-UHFFFAOYSA-N
XLogP2.59
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethoxyphenyl)-N-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
CID 61439040
1-(3,4-dichlorophenyl)-N-methyl-N-(oxan-4-yl)ethane-1,2-diamine
CID 43610889
N-methyl-N-propan-2-yl-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 62495292
1-(3-chloro-4-methoxyphenyl)-N-methyl-N-(oxan-4-yl)ethane-1,2-diamine
CID 65021918
1-(3-bromo-4-fluorophenyl)-N-methyl-N-(oxan-4-yl)ethane-1,2-diamine
CID 43610904
N-cyclopropyl-N-methyl-1-(4-methylphenyl)ethane-1,2-diamine
CID 43264750
N-methyl-N-(2-methylsulfanylethyl)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 112658310
N-cyclopentyl-1-[4-(difluoromethyl)phenyl]-N-methylethane-1,2-diamine
CID 115524228
1-(furan-2-yl)-N-methyl-N-(oxan-4-yl)ethane-1,2-diamine
CID 43610896
N-butan-2-yl-N-ethyl-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 62496776
N-methyl-N-(oxan-4-yl)-1-phenylpropane-1,3-diamine
CID 62779870
N-methyl-N-(oxan-4-yl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 43610867

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxan-4-yl)-1-(4-propoxyphenyl)ethane-1,2-diamine?
The IUPAC name of N-methyl-N-(oxan-4-yl)-1-(4-propoxyphenyl)ethane-1,2-diamine (CID 62495950) is N-methyl-N-(oxan-4-yl)-1-(4-propoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-methyl-N-(oxan-4-yl)-1-(4-propoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N-methyl-N-(oxan-4-yl)-1-(4-propoxyphenyl)ethane-1,2-diamine is CCCOc1ccc(C(CN)N(C)C2CCOCC2)cc1.
What is the InChIKey of N-methyl-N-(oxan-4-yl)-1-(4-propoxyphenyl)ethane-1,2-diamine?
The InChIKey is IWAQVSKHHRAYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-3-10-21-16-6-4-14(5-7-16)17(13-18)19(2)15-8-11-20-12-9-15/h4-7,15,17H,3,8-13,18H2,1-2H3.
What are the key properties of N-methyl-N-(oxan-4-yl)-1-(4-propoxyphenyl)ethane-1,2-diamine?
N-methyl-N-(oxan-4-yl)-1-(4-propoxyphenyl)ethane-1,2-diamine has a molecular weight of 292.42 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-4-yl)-1-(4-propoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 62495950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).