1-(3-chlorophenoxy)-3-ethyl-N-propylpentan-2-amine

C16H26ClNO — CID 105168543

IUPAC1-(3-chlorophenoxy)-3-ethyl-N-propylpentan-2-amine
SMILESCCCNC(COc1cccc(Cl)c1)C(CC)CC
InChIInChI=1S/C16H26ClNO/c1-4-10-18-16(13(5-2)6-3)12-19-15-9-7-8-14(17)11-15/h7-9,11,13,16,18H,4-6,10,12H2,1-3H3
InChIKeyPJZYEXWLCQDEEO-UHFFFAOYSA-N
MW283.84 g/mol
LogP4.52
Rot. Bonds9

About 1-(3-chlorophenoxy)-3-ethyl-N-propylpentan-2-amine

1-(3-chlorophenoxy)-3-ethyl-N-propylpentan-2-amine (PubChem CID 105168543) has the molecular formula C16H26ClNO and a molecular weight of 283.84 g/mol. Its IUPAC name is 1-(3-chlorophenoxy)-3-ethyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenoxy)-3-ethyl-N-propylpentan-2-amine
PubChem CID105168543
Molecular FormulaC16H26ClNO
Molecular Weight283.84 g/mol
Exact Mass283.17
IUPAC Name1-(3-chlorophenoxy)-3-ethyl-N-propylpentan-2-amine
SMILESCCCNC(COc1cccc(Cl)c1)C(CC)CC
InChIInChI=1S/C16H26ClNO/c1-4-10-18-16(13(5-2)6-3)12-19-15-9-7-8-14(17)11-15/h7-9,11,13,16,18H,4-6,10,12H2,1-3H3
InChIKeyPJZYEXWLCQDEEO-UHFFFAOYSA-N
XLogP4.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.84
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-chlorophenoxy)-1-cyclopentylethyl]propan-1-amine
CID 105080955
1-chloro-3-(2-methylbutoxy)benzene
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N-[1-(3-chlorophenyl)-2-phenoxyethyl]propan-1-amine
CID 63416306
2-(3-chlorophenoxy)-5-ethyl-N-propylheptan-3-amine
CID 105176676
N-[2-(3-chlorophenoxy)-1-(3-chlorothiophen-2-yl)ethyl]propan-1-amine
CID 107361780
1-(3-chlorophenoxy)-N,3-dimethylbutan-2-amine
CID 105077820
N-[1-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 62229836
1-(3-chlorophenoxy)-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 105134206
1-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62857114
2-[(3-chlorophenoxy)methyl]butan-1-amine
CID 117241903
1-(3-chlorophenoxy)pentan-2-ol
CID 105083098
1-(3-chlorophenoxy)-N-propyl-4-thiophen-3-ylbutan-2-amine
CID 105147847

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenoxy)-3-ethyl-N-propylpentan-2-amine?
The IUPAC name of 1-(3-chlorophenoxy)-3-ethyl-N-propylpentan-2-amine (CID 105168543) is 1-(3-chlorophenoxy)-3-ethyl-N-propylpentan-2-amine.
What is the SMILES notation for 1-(3-chlorophenoxy)-3-ethyl-N-propylpentan-2-amine?
The canonical SMILES for 1-(3-chlorophenoxy)-3-ethyl-N-propylpentan-2-amine is CCCNC(COc1cccc(Cl)c1)C(CC)CC.
What is the InChIKey of 1-(3-chlorophenoxy)-3-ethyl-N-propylpentan-2-amine?
The InChIKey is PJZYEXWLCQDEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO/c1-4-10-18-16(13(5-2)6-3)12-19-15-9-7-8-14(17)11-15/h7-9,11,13,16,18H,4-6,10,12H2,1-3H3.
What are the key properties of 1-(3-chlorophenoxy)-3-ethyl-N-propylpentan-2-amine?
1-(3-chlorophenoxy)-3-ethyl-N-propylpentan-2-amine has a molecular weight of 283.84 g/mol, XLogP of 4.52, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenoxy)-3-ethyl-N-propylpentan-2-amine is sourced from PubChem (CID 105168543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).