1-[4-[2-(diethylamino)ethoxy]phenyl]butan-1-amine

C16H28N2O — CID 66822143

IUPAC1-[4-[2-(diethylamino)ethoxy]phenyl]butan-1-amine
SMILESCCCC(N)c1ccc(OCCN(CC)CC)cc1
InChIInChI=1S/C16H28N2O/c1-4-7-16(17)14-8-10-15(11-9-14)19-13-12-18(5-2)6-3/h8-11,16H,4-7,12-13,17H2,1-3H3
InChIKeyPKLDAAYNFZWFOR-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.21
Rot. Bonds9

About 1-[4-[2-(diethylamino)ethoxy]phenyl]butan-1-amine

1-[4-[2-(diethylamino)ethoxy]phenyl]butan-1-amine (PubChem CID 66822143) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-[4-[2-(diethylamino)ethoxy]phenyl]butan-1-amine.

Molecular Properties

Compound Name1-[4-[2-(diethylamino)ethoxy]phenyl]butan-1-amine
PubChem CID66822143
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-[4-[2-(diethylamino)ethoxy]phenyl]butan-1-amine
SMILESCCCC(N)c1ccc(OCCN(CC)CC)cc1
InChIInChI=1S/C16H28N2O/c1-4-7-16(17)14-8-10-15(11-9-14)19-13-12-18(5-2)6-3/h8-11,16H,4-7,12-13,17H2,1-3H3
InChIKeyPKLDAAYNFZWFOR-UHFFFAOYSA-N
XLogP3.21
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3-methylbutoxy)phenyl]butan-1-amine
CID 153373818
1-(4-propoxyphenyl)pentan-1-amine
CID 79016312
1-(4-butoxyphenyl)-4-methylpentan-1-amine
CID 105127236
1-(4-propoxyphenyl)propan-1-amine
CID 16783118
N,N-diethyl-2-(4-fluorophenoxy)ethanamine
CID 867210
N'-ethyl-N'-(2-methylbutyl)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 79481917
N',N'-diethyl-1-(4-methylphenyl)propane-1,3-diamine
CID 62619570
(1R)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 66516534
N',N'-dimethyl-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 16784602
2-[4-[2-(diethylamino)ethoxy]phenyl]ethanamine
CID 10752321
1-(4-ethoxyphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 112517875
3-amino-3-(4-decoxyphenyl)propan-1-ol
CID 170874519

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(diethylamino)ethoxy]phenyl]butan-1-amine?
The IUPAC name of 1-[4-[2-(diethylamino)ethoxy]phenyl]butan-1-amine (CID 66822143) is 1-[4-[2-(diethylamino)ethoxy]phenyl]butan-1-amine.
What is the SMILES notation for 1-[4-[2-(diethylamino)ethoxy]phenyl]butan-1-amine?
The canonical SMILES for 1-[4-[2-(diethylamino)ethoxy]phenyl]butan-1-amine is CCCC(N)c1ccc(OCCN(CC)CC)cc1.
What is the InChIKey of 1-[4-[2-(diethylamino)ethoxy]phenyl]butan-1-amine?
The InChIKey is PKLDAAYNFZWFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-4-7-16(17)14-8-10-15(11-9-14)19-13-12-18(5-2)6-3/h8-11,16H,4-7,12-13,17H2,1-3H3.
What are the key properties of 1-[4-[2-(diethylamino)ethoxy]phenyl]butan-1-amine?
1-[4-[2-(diethylamino)ethoxy]phenyl]butan-1-amine has a molecular weight of 264.41 g/mol, XLogP of 3.21, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(diethylamino)ethoxy]phenyl]butan-1-amine is sourced from PubChem (CID 66822143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).