2-(4-chloro-3-ethylphenoxy)-N-propylpropan-1-amine

C14H22ClNO — CID 62485185

IUPAC2-(4-chloro-3-ethylphenoxy)-N-propylpropan-1-amine
SMILESCCCNCC(C)Oc1ccc(Cl)c(CC)c1
InChIInChI=1S/C14H22ClNO/c1-4-8-16-10-11(3)17-13-6-7-14(15)12(5-2)9-13/h6-7,9,11,16H,4-5,8,10H2,1-3H3
InChIKeyXDXFOGKOBDXEJR-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.67
Rot. Bonds7

About 2-(4-chloro-3-ethylphenoxy)-N-propylpropan-1-amine

2-(4-chloro-3-ethylphenoxy)-N-propylpropan-1-amine (PubChem CID 62485185) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 2-(4-chloro-3-ethylphenoxy)-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-(4-chloro-3-ethylphenoxy)-N-propylpropan-1-amine
PubChem CID62485185
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name2-(4-chloro-3-ethylphenoxy)-N-propylpropan-1-amine
SMILESCCCNCC(C)Oc1ccc(Cl)c(CC)c1
InChIInChI=1S/C14H22ClNO/c1-4-8-16-10-11(3)17-13-6-7-14(15)12(5-2)9-13/h6-7,9,11,16H,4-5,8,10H2,1-3H3
InChIKeyXDXFOGKOBDXEJR-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-chloro-3-ethylphenoxy)-N-(3-ethoxypropyl)propan-1-amine
CID 62597357
2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylpropan-1-amine
CID 55076773
2-(3-chlorophenoxy)-N-propylpropan-1-amine
CID 62227786
(3S)-3-(4-chloro-3-ethylphenoxy)butanoic acid
CID 103547866
2-(4-chloro-3-ethylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 63497376
2-(4-chloro-3-ethylphenoxy)-2-methyl-N-propylbutan-1-amine
CID 55195419
2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylpentan-1-amine
CID 83045052
2-(4-chloro-3-ethylphenoxy)-N-(2-methylpropyl)butan-1-amine
CID 55196780
2-naphthalen-2-yloxy-N-propylpropan-1-amine
CID 42630142
2-(4-chloro-3-ethylphenoxy)-N-ethyl-2-phenylethanamine
CID 63497723
2-(2-ethylphenoxy)-N-propylpropan-1-amine
CID 62486791
3-(4-chloro-3-ethylphenoxy)-2,2-dimethyl-N-propylpropan-1-amine
CID 79627768

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-ethylphenoxy)-N-propylpropan-1-amine?
The IUPAC name of 2-(4-chloro-3-ethylphenoxy)-N-propylpropan-1-amine (CID 62485185) is 2-(4-chloro-3-ethylphenoxy)-N-propylpropan-1-amine.
What is the SMILES notation for 2-(4-chloro-3-ethylphenoxy)-N-propylpropan-1-amine?
The canonical SMILES for 2-(4-chloro-3-ethylphenoxy)-N-propylpropan-1-amine is CCCNCC(C)Oc1ccc(Cl)c(CC)c1.
What is the InChIKey of 2-(4-chloro-3-ethylphenoxy)-N-propylpropan-1-amine?
The InChIKey is XDXFOGKOBDXEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-4-8-16-10-11(3)17-13-6-7-14(15)12(5-2)9-13/h6-7,9,11,16H,4-5,8,10H2,1-3H3.
What are the key properties of 2-(4-chloro-3-ethylphenoxy)-N-propylpropan-1-amine?
2-(4-chloro-3-ethylphenoxy)-N-propylpropan-1-amine has a molecular weight of 255.79 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-ethylphenoxy)-N-propylpropan-1-amine is sourced from PubChem (CID 62485185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).