1-(4-ethoxyphenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine

C18H32N2O — CID 102912603

IUPAC1-(4-ethoxyphenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
SMILESCCOc1ccc(C(CN)NCC(C(C)C)C(C)C)cc1
InChIInChI=1S/C18H32N2O/c1-6-21-16-9-7-15(8-10-16)18(11-19)20-12-17(13(2)3)14(4)5/h7-10,13-14,17-18,20H,6,11-12,19H2,1-5H3
InChIKeyFEPMLONLJJDWND-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.60
Rot. Bonds9

About 1-(4-ethoxyphenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine

1-(4-ethoxyphenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine (PubChem CID 102912603) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
PubChem CID102912603
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name1-(4-ethoxyphenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
SMILESCCOc1ccc(C(CN)NCC(C(C)C)C(C)C)cc1
InChIInChI=1S/C18H32N2O/c1-6-21-16-9-7-15(8-10-16)18(11-19)20-12-17(13(2)3)14(4)5/h7-10,13-14,17-18,20H,6,11-12,19H2,1-5H3
InChIKeyFEPMLONLJJDWND-UHFFFAOYSA-N
XLogP3.60
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-1-(4-ethoxyphenyl)ethane-1,2-diamine
CID 65384964
1-(5-ethylthiophen-2-yl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
CID 102912632
1-(1,3-benzodioxol-5-yl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
CID 102912624
N-cycloheptyl-1-(4-ethoxyphenyl)ethane-1,2-diamine
CID 65379732
1-(3-chloro-4-methylphenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
CID 106817559
1-[4-(difluoromethoxy)phenyl]-N-(2-methylpropyl)ethane-1,2-diamine
CID 65383717
1-(3-bromo-4-fluorophenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
CID 102912496
1-(4-ethoxyphenyl)-N,5-dimethylhexan-1-amine
CID 105028805
1-(4-ethoxyphenyl)-N-ethyl-4-methylpentan-1-amine
CID 43489419
N-(2-bromophenyl)-1-(4-ethoxyphenyl)ethane-1,2-diamine
CID 65384694
1-(4-propoxyphenyl)-N-prop-2-ynylethane-1,2-diamine
CID 65380164
2-(4-ethoxyphenoxy)-3-methylbutan-1-amine
CID 62451860

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine?
The IUPAC name of 1-(4-ethoxyphenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine (CID 102912603) is 1-(4-ethoxyphenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine?
The canonical SMILES for 1-(4-ethoxyphenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine is CCOc1ccc(C(CN)NCC(C(C)C)C(C)C)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine?
The InChIKey is FEPMLONLJJDWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-6-21-16-9-7-15(8-10-16)18(11-19)20-12-17(13(2)3)14(4)5/h7-10,13-14,17-18,20H,6,11-12,19H2,1-5H3.
What are the key properties of 1-(4-ethoxyphenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine?
1-(4-ethoxyphenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine has a molecular weight of 292.47 g/mol, XLogP of 3.60, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine is sourced from PubChem (CID 102912603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).