4-(4-chloro-3-ethylphenoxy)-N-ethylbutan-1-amine

C14H22ClNO — CID 62484830

IUPAC4-(4-chloro-3-ethylphenoxy)-N-ethylbutan-1-amine
SMILESCCNCCCCOc1ccc(Cl)c(CC)c1
InChIInChI=1S/C14H22ClNO/c1-3-12-11-13(7-8-14(12)15)17-10-6-5-9-16-4-2/h7-8,11,16H,3-6,9-10H2,1-2H3
InChIKeyLVQGEIIEBIZTCF-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.67
Rot. Bonds8

About 4-(4-chloro-3-ethylphenoxy)-N-ethylbutan-1-amine

4-(4-chloro-3-ethylphenoxy)-N-ethylbutan-1-amine (PubChem CID 62484830) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 4-(4-chloro-3-ethylphenoxy)-N-ethylbutan-1-amine.

Molecular Properties

Compound Name4-(4-chloro-3-ethylphenoxy)-N-ethylbutan-1-amine
PubChem CID62484830
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name4-(4-chloro-3-ethylphenoxy)-N-ethylbutan-1-amine
SMILESCCNCCCCOc1ccc(Cl)c(CC)c1
InChIInChI=1S/C14H22ClNO/c1-3-12-11-13(7-8-14(12)15)17-10-6-5-9-16-4-2/h7-8,11,16H,3-6,9-10H2,1-2H3
InChIKeyLVQGEIIEBIZTCF-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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

4-(4-chloro-3-ethylphenoxy)-N-propan-2-ylbutan-1-amine
CID 62485010
1-chloro-2-ethyl-4-[3-(4-methoxyphenoxy)propoxy]benzene
CID 30135289
2-(3,4-dichlorophenoxy)-N-ethylethanamine
CID 6457952
N-[2-(4-chloro-3-ethylphenoxy)ethyl]cyclopropanamine
CID 43247811
(2R)-N-[2-(4-chloro-3-ethylphenoxy)ethyl]butan-2-amine
CID 2184559
N-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine
CID 55075397
3-(4-chloro-3-ethylphenoxy)propanenitrile
CID 43212888
4-(4-chloro-3-ethylphenoxy)butanethioamide
CID 43247736
2-(4-chloro-3-ethylphenoxy)-N-(3-ethoxypropyl)propan-1-amine
CID 62597357
N-[2-(4-chloro-3-ethylphenoxy)ethyl]-5-methylhexan-2-amine
CID 63516682
N-ethyl-4-(4-fluorophenoxy)butan-1-amine
CID 62453789
N-[2-(4-chloro-3-ethylphenoxy)ethyl]-3-methylaniline
CID 63517337

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-ethylphenoxy)-N-ethylbutan-1-amine?
The IUPAC name of 4-(4-chloro-3-ethylphenoxy)-N-ethylbutan-1-amine (CID 62484830) is 4-(4-chloro-3-ethylphenoxy)-N-ethylbutan-1-amine.
What is the SMILES notation for 4-(4-chloro-3-ethylphenoxy)-N-ethylbutan-1-amine?
The canonical SMILES for 4-(4-chloro-3-ethylphenoxy)-N-ethylbutan-1-amine is CCNCCCCOc1ccc(Cl)c(CC)c1.
What is the InChIKey of 4-(4-chloro-3-ethylphenoxy)-N-ethylbutan-1-amine?
The InChIKey is LVQGEIIEBIZTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-3-12-11-13(7-8-14(12)15)17-10-6-5-9-16-4-2/h7-8,11,16H,3-6,9-10H2,1-2H3.
What are the key properties of 4-(4-chloro-3-ethylphenoxy)-N-ethylbutan-1-amine?
4-(4-chloro-3-ethylphenoxy)-N-ethylbutan-1-amine has a molecular weight of 255.79 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-ethylphenoxy)-N-ethylbutan-1-amine is sourced from PubChem (CID 62484830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).