1-(4-ethoxyphenyl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine

C17H30N2O — CID 79069053

IUPAC1-(4-ethoxyphenyl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine
SMILESCCOc1ccc(C(N)C(C)(CC)N(CC)CC)cc1
InChIInChI=1S/C17H30N2O/c1-6-17(5,19(7-2)8-3)16(18)14-10-12-15(13-11-14)20-9-4/h10-13,16H,6-9,18H2,1-5H3
InChIKeyRTLQTDCNEKMMOO-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.60
Rot. Bonds8

About 1-(4-ethoxyphenyl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine

1-(4-ethoxyphenyl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine (PubChem CID 79069053) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine
PubChem CID79069053
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name1-(4-ethoxyphenyl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine
SMILESCCOc1ccc(C(N)C(C)(CC)N(CC)CC)cc1
InChIInChI=1S/C17H30N2O/c1-6-17(5,19(7-2)8-3)16(18)14-10-12-15(13-11-14)20-9-4/h10-13,16H,6-9,18H2,1-5H3
InChIKeyRTLQTDCNEKMMOO-UHFFFAOYSA-N
XLogP3.60
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethoxyphenyl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine
CID 79052774
amino-(4-ethoxyphenyl)methanol
CID 116939610
1-(4-ethoxyphenyl)-1-N,1-N,2-trimethylpropane-1,2-diamine
CID 116904502
N'-cyclopentyl-1-(4-ethoxyphenyl)-N'-ethylethane-1,2-diamine
CID 43541063
ethyl (3S)-3-amino-3-(4-ethoxyphenyl)-2,2-difluoropropanoate
CID 171246535
1-(4-ethoxyphenyl)-2-methylbutan-1-amine
CID 12771706
1-(1-chloro-2,2-dimethylpropyl)-4-ethoxybenzene
CID 63429151
1-(4-ethoxyphenyl)-N'-ethyl-N'-(2-methylbutyl)ethane-1,2-diamine
CID 79477042
1-(4-ethoxyphenyl)-3,3,3-trifluoropropan-1-amine
CID 43197123
(1S)-1-(3-ethoxyphenyl)-2,2-dimethylpropan-1-amine
CID 94424615
(1R)-1-(4-ethoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171200689
2-(4-ethoxyphenyl)pentan-3-amine
CID 79308575

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine?
The IUPAC name of 1-(4-ethoxyphenyl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine (CID 79069053) is 1-(4-ethoxyphenyl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine?
The canonical SMILES for 1-(4-ethoxyphenyl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine is CCOc1ccc(C(N)C(C)(CC)N(CC)CC)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine?
The InChIKey is RTLQTDCNEKMMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-6-17(5,19(7-2)8-3)16(18)14-10-12-15(13-11-14)20-9-4/h10-13,16H,6-9,18H2,1-5H3.
What are the key properties of 1-(4-ethoxyphenyl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine?
1-(4-ethoxyphenyl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine has a molecular weight of 278.44 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine is sourced from PubChem (CID 79069053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).