N,2-diethyl-1-[4-(2-methoxyethyl)phenyl]butan-1-amine

C17H29NO — CID 43489783

IUPACN,2-diethyl-1-[4-(2-methoxyethyl)phenyl]butan-1-amine
SMILESCCNC(c1ccc(CCOC)cc1)C(CC)CC
InChIInChI=1S/C17H29NO/c1-5-15(6-2)17(18-7-3)16-10-8-14(9-11-16)12-13-19-4/h8-11,15,17-18H,5-7,12-13H2,1-4H3
InChIKeyUISJPKJYYFMUQT-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.96
Rot. Bonds9

About N,2-diethyl-1-[4-(2-methoxyethyl)phenyl]butan-1-amine

N,2-diethyl-1-[4-(2-methoxyethyl)phenyl]butan-1-amine (PubChem CID 43489783) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is N,2-diethyl-1-[4-(2-methoxyethyl)phenyl]butan-1-amine.

Molecular Properties

Compound NameN,2-diethyl-1-[4-(2-methoxyethyl)phenyl]butan-1-amine
PubChem CID43489783
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC NameN,2-diethyl-1-[4-(2-methoxyethyl)phenyl]butan-1-amine
SMILESCCNC(c1ccc(CCOC)cc1)C(CC)CC
InChIInChI=1S/C17H29NO/c1-5-15(6-2)17(18-7-3)16-10-8-14(9-11-16)12-13-19-4/h8-11,15,17-18H,5-7,12-13H2,1-4H3
InChIKeyUISJPKJYYFMUQT-UHFFFAOYSA-N
XLogP3.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-butylphenyl)-N,2-diethylhexan-1-amine
CID 63507624
N-[cyclopropyl-[4-(2-methoxyethyl)phenyl]methyl]ethanamine
CID 43489767
1-(4-ethoxyphenyl)-N,2-diethylbutan-1-amine
CID 43489470
N-ethyl-3,3,3-trifluoro-1-[4-(2-methoxyethyl)phenyl]propan-1-amine
CID 43489780
[2-ethyl-1-(4-propylphenyl)butyl]hydrazine
CID 105303738
1-[4-(difluoromethoxy)phenyl]-N,2-diethylbutan-1-amine
CID 105013922
N-[[4-(2-methoxyethyl)phenyl]-(5-methylfuran-2-yl)methyl]ethanamine
CID 43489727
N-[(2-iodophenyl)-[4-(2-methoxyethyl)phenyl]methyl]ethanamine
CID 43489761
N-[[4-(2-methoxyethyl)phenyl]-(5-methylfuran-3-yl)methyl]ethanamine
CID 114819986
1-(4-butylphenyl)-N-ethyl-2-methylpropan-1-amine
CID 43393753
(4-ethylphenyl)-[4-(2-methoxyethyl)phenyl]methanamine
CID 43198378
1-(1-bromo-2-propylpentyl)-4-(2-methoxyethyl)benzene
CID 82988111

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-1-[4-(2-methoxyethyl)phenyl]butan-1-amine?
The IUPAC name of N,2-diethyl-1-[4-(2-methoxyethyl)phenyl]butan-1-amine (CID 43489783) is N,2-diethyl-1-[4-(2-methoxyethyl)phenyl]butan-1-amine.
What is the SMILES notation for N,2-diethyl-1-[4-(2-methoxyethyl)phenyl]butan-1-amine?
The canonical SMILES for N,2-diethyl-1-[4-(2-methoxyethyl)phenyl]butan-1-amine is CCNC(c1ccc(CCOC)cc1)C(CC)CC.
What is the InChIKey of N,2-diethyl-1-[4-(2-methoxyethyl)phenyl]butan-1-amine?
The InChIKey is UISJPKJYYFMUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-5-15(6-2)17(18-7-3)16-10-8-14(9-11-16)12-13-19-4/h8-11,15,17-18H,5-7,12-13H2,1-4H3.
What are the key properties of N,2-diethyl-1-[4-(2-methoxyethyl)phenyl]butan-1-amine?
N,2-diethyl-1-[4-(2-methoxyethyl)phenyl]butan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 3.96, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-1-[4-(2-methoxyethyl)phenyl]butan-1-amine is sourced from PubChem (CID 43489783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).