2-(4-chloro-3-ethylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine

C17H28ClNO — CID 63497376

IUPAC2-(4-chloro-3-ethylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCCc1cc(OC(CNCC(C)C)C(C)C)ccc1Cl
InChIInChI=1S/C17H28ClNO/c1-6-14-9-15(7-8-16(14)18)20-17(13(4)5)11-19-10-12(2)3/h7-9,12-13,17,19H,6,10-11H2,1-5H3
InChIKeyHUVIASCSSDTFOU-UHFFFAOYSA-N
MW297.87 g/mol
LogP4.55
Rot. Bonds8

About 2-(4-chloro-3-ethylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine

2-(4-chloro-3-ethylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine (PubChem CID 63497376) has the molecular formula C17H28ClNO and a molecular weight of 297.87 g/mol. Its IUPAC name is 2-(4-chloro-3-ethylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name2-(4-chloro-3-ethylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine
PubChem CID63497376
Molecular FormulaC17H28ClNO
Molecular Weight297.87 g/mol
Exact Mass297.19
IUPAC Name2-(4-chloro-3-ethylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCCc1cc(OC(CNCC(C)C)C(C)C)ccc1Cl
InChIInChI=1S/C17H28ClNO/c1-6-14-9-15(7-8-16(14)18)20-17(13(4)5)11-19-10-12(2)3/h7-9,12-13,17,19H,6,10-11H2,1-5H3
InChIKeyHUVIASCSSDTFOU-UHFFFAOYSA-N
XLogP4.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.87
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-3-ethylphenoxy)-N-(2-methylpropyl)butan-1-amine
CID 55196780
2-(3,4-dichlorophenoxy)-N-ethyl-3-methylbutan-1-amine
CID 55076972
2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylpropan-1-amine
CID 55076773
3-methyl-N-(2-methylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine
CID 63496494
2-(4-chloro-3-ethylphenoxy)-N-propylpropan-1-amine
CID 62485185
3-methyl-2-(4-methylphenoxy)-N-(2-methylpropyl)butan-1-amine
CID 55077780
2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylpentan-1-amine
CID 83045052
2-(3,5-dimethylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 63496809
2-(4-chloro-3-ethylphenoxy)-N-(3-ethoxypropyl)propan-1-amine
CID 62597357
3-methyl-N-(2-methylpropyl)-2-[4-(trifluoromethyl)phenoxy]butan-1-amine
CID 63491943
(3S)-3-(4-chloro-3-ethylphenoxy)butanoic acid
CID 103547866
2-(4-chloro-3-ethylphenoxy)-N-ethyl-2-phenylethanamine
CID 63497723

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-ethylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 2-(4-chloro-3-ethylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine (CID 63497376) is 2-(4-chloro-3-ethylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 2-(4-chloro-3-ethylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 2-(4-chloro-3-ethylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine is CCc1cc(OC(CNCC(C)C)C(C)C)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-ethylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine?
The InChIKey is HUVIASCSSDTFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClNO/c1-6-14-9-15(7-8-16(14)18)20-17(13(4)5)11-19-10-12(2)3/h7-9,12-13,17,19H,6,10-11H2,1-5H3.
What are the key properties of 2-(4-chloro-3-ethylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine?
2-(4-chloro-3-ethylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine has a molecular weight of 297.87 g/mol, XLogP of 4.55, 8 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)-3-methyl-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 63497376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).