1-(4-tert-butylphenyl)-N'-(2-methoxyethyl)-N'-propan-2-ylethane-1,2-diamine

C18H32N2O — CID 82939741

IUPAC1-(4-tert-butylphenyl)-N'-(2-methoxyethyl)-N'-propan-2-ylethane-1,2-diamine
SMILESCOCCN(CC(N)c1ccc(C(C)(C)C)cc1)C(C)C
InChIInChI=1S/C18H32N2O/c1-14(2)20(11-12-21-6)13-17(19)15-7-9-16(10-8-15)18(3,4)5/h7-10,14,17H,11-13,19H2,1-6H3
InChIKeyQJXNTISELIAXLT-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.34
Rot. Bonds7

About 1-(4-tert-butylphenyl)-N'-(2-methoxyethyl)-N'-propan-2-ylethane-1,2-diamine

1-(4-tert-butylphenyl)-N'-(2-methoxyethyl)-N'-propan-2-ylethane-1,2-diamine (PubChem CID 82939741) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-N'-(2-methoxyethyl)-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-N'-(2-methoxyethyl)-N'-propan-2-ylethane-1,2-diamine
PubChem CID82939741
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name1-(4-tert-butylphenyl)-N'-(2-methoxyethyl)-N'-propan-2-ylethane-1,2-diamine
SMILESCOCCN(CC(N)c1ccc(C(C)(C)C)cc1)C(C)C
InChIInChI=1S/C18H32N2O/c1-14(2)20(11-12-21-6)13-17(19)15-7-9-16(10-8-15)18(3,4)5/h7-10,14,17H,11-13,19H2,1-6H3
InChIKeyQJXNTISELIAXLT-UHFFFAOYSA-N
XLogP3.34
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(2-methoxyethyl)-1-phenyl-N'-propan-2-ylpropane-1,3-diamine
CID 82951855
(2R)-1-N-(2-methoxyethyl)-1-N-propan-2-ylpropane-1,2-diamine
CID 103934791
1-(4-tert-butylphenyl)-N'-(3,3-dimethylbutan-2-yl)-N'-methylethane-1,2-diamine
CID 63467628
1-(4-tert-butylphenyl)-2-(3-methylbutoxy)ethanamine
CID 43093766
(2R)-2-amino-2-(4-tert-butylphenyl)ethanol
CID 55278122
N'-(2-methoxyethyl)-1-(4-methylphenyl)-N'-(2-methylpropyl)ethane-1,2-diamine
CID 54986790
N'-propan-2-yl-N'-propyl-1-(4-propylphenyl)ethane-1,2-diamine
CID 43269507
(2S)-2-amino-2-(4-tert-butylphenyl)ethanol;hydrochloride
CID 135564298
N'-(2-methoxyethyl)-N'-(2-methylpropyl)-1-phenylethane-1,2-diamine
CID 55138914
N'-ethyl-N'-(2-methoxyethyl)-1-(4-methylphenyl)ethane-1,2-diamine
CID 61448002
3-methoxy-1-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 62790379
N'-(2-methoxyethyl)-N-methyl-1-(4-methylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 82949092

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-N'-(2-methoxyethyl)-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of 1-(4-tert-butylphenyl)-N'-(2-methoxyethyl)-N'-propan-2-ylethane-1,2-diamine (CID 82939741) is 1-(4-tert-butylphenyl)-N'-(2-methoxyethyl)-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-N'-(2-methoxyethyl)-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for 1-(4-tert-butylphenyl)-N'-(2-methoxyethyl)-N'-propan-2-ylethane-1,2-diamine is COCCN(CC(N)c1ccc(C(C)(C)C)cc1)C(C)C.
What is the InChIKey of 1-(4-tert-butylphenyl)-N'-(2-methoxyethyl)-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is QJXNTISELIAXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-14(2)20(11-12-21-6)13-17(19)15-7-9-16(10-8-15)18(3,4)5/h7-10,14,17H,11-13,19H2,1-6H3.
What are the key properties of 1-(4-tert-butylphenyl)-N'-(2-methoxyethyl)-N'-propan-2-ylethane-1,2-diamine?
1-(4-tert-butylphenyl)-N'-(2-methoxyethyl)-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 292.47 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-N'-(2-methoxyethyl)-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 82939741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).