N-ethyl-N-(2-methylbutyl)-1-(4-propoxyphenyl)ethane-1,2-diamine

C18H32N2O — CID 79481726

IUPACN-ethyl-N-(2-methylbutyl)-1-(4-propoxyphenyl)ethane-1,2-diamine
SMILESCCCOc1ccc(C(CN)N(CC)CC(C)CC)cc1
InChIInChI=1S/C18H32N2O/c1-5-12-21-17-10-8-16(9-11-17)18(13-19)20(7-3)14-15(4)6-2/h8-11,15,18H,5-7,12-14,19H2,1-4H3
InChIKeyODLXACVMEHJNHU-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.84
Rot. Bonds10

About N-ethyl-N-(2-methylbutyl)-1-(4-propoxyphenyl)ethane-1,2-diamine

N-ethyl-N-(2-methylbutyl)-1-(4-propoxyphenyl)ethane-1,2-diamine (PubChem CID 79481726) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is N-ethyl-N-(2-methylbutyl)-1-(4-propoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-N-(2-methylbutyl)-1-(4-propoxyphenyl)ethane-1,2-diamine
PubChem CID79481726
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC NameN-ethyl-N-(2-methylbutyl)-1-(4-propoxyphenyl)ethane-1,2-diamine
SMILESCCCOc1ccc(C(CN)N(CC)CC(C)CC)cc1
InChIInChI=1S/C18H32N2O/c1-5-12-21-17-10-8-16(9-11-17)18(13-19)20(7-3)14-15(4)6-2/h8-11,15,18H,5-7,12-14,19H2,1-4H3
InChIKeyODLXACVMEHJNHU-UHFFFAOYSA-N
XLogP3.84
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-N-ethyl-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 62496776
N,N-diethyl-1-(4-pentoxyphenyl)ethane-1,2-diamine
CID 82043554
1-(4-ethoxyphenyl)-N-ethyl-N-(2-ethylbutyl)ethane-1,2-diamine
CID 61437255
N-ethyl-N-(2-methylbutyl)-1-(4-methylsulfanylphenyl)ethane-1,2-diamine
CID 79477108
N-methyl-N-propan-2-yl-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 62495292
N'-ethyl-N'-(2-methylbutyl)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 79481917
N-ethyl-N-(2-ethylbutyl)-1-(4-methoxyphenyl)ethane-1,2-diamine
CID 61437202
N-ethyl-N-(2-methylbutyl)-1-(3-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 79481710
N-methyl-N-(2-methylsulfanylethyl)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 112658310
1-(4-propan-2-yloxyphenyl)-N,N-dipropylethane-1,2-diamine
CID 16642868
(1R)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 66516534
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N-(2-methylbutyl)ethane-1,2-diamine
CID 79477512

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-methylbutyl)-1-(4-propoxyphenyl)ethane-1,2-diamine?
The IUPAC name of N-ethyl-N-(2-methylbutyl)-1-(4-propoxyphenyl)ethane-1,2-diamine (CID 79481726) is N-ethyl-N-(2-methylbutyl)-1-(4-propoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-ethyl-N-(2-methylbutyl)-1-(4-propoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N-ethyl-N-(2-methylbutyl)-1-(4-propoxyphenyl)ethane-1,2-diamine is CCCOc1ccc(C(CN)N(CC)CC(C)CC)cc1.
What is the InChIKey of N-ethyl-N-(2-methylbutyl)-1-(4-propoxyphenyl)ethane-1,2-diamine?
The InChIKey is ODLXACVMEHJNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-5-12-21-17-10-8-16(9-11-17)18(13-19)20(7-3)14-15(4)6-2/h8-11,15,18H,5-7,12-14,19H2,1-4H3.
What are the key properties of N-ethyl-N-(2-methylbutyl)-1-(4-propoxyphenyl)ethane-1,2-diamine?
N-ethyl-N-(2-methylbutyl)-1-(4-propoxyphenyl)ethane-1,2-diamine has a molecular weight of 292.47 g/mol, XLogP of 3.84, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methylbutyl)-1-(4-propoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 79481726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).