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

C16H26ClNO — CID 55196780

IUPAC2-(4-chloro-3-ethylphenoxy)-N-(2-methylpropyl)butan-1-amine
SMILESCCc1cc(OC(CC)CNCC(C)C)ccc1Cl
InChIInChI=1S/C16H26ClNO/c1-5-13-9-15(7-8-16(13)17)19-14(6-2)11-18-10-12(3)4/h7-9,12,14,18H,5-6,10-11H2,1-4H3
InChIKeyJYIBZDCYBDUUHL-UHFFFAOYSA-N
MW283.84 g/mol
LogP4.31
Rot. Bonds8

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

2-(4-chloro-3-ethylphenoxy)-N-(2-methylpropyl)butan-1-amine (PubChem CID 55196780) has the molecular formula C16H26ClNO and a molecular weight of 283.84 g/mol. Its IUPAC name is 2-(4-chloro-3-ethylphenoxy)-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name2-(4-chloro-3-ethylphenoxy)-N-(2-methylpropyl)butan-1-amine
PubChem CID55196780
Molecular FormulaC16H26ClNO
Molecular Weight283.84 g/mol
Exact Mass283.17
IUPAC Name2-(4-chloro-3-ethylphenoxy)-N-(2-methylpropyl)butan-1-amine
SMILESCCc1cc(OC(CC)CNCC(C)C)ccc1Cl
InChIInChI=1S/C16H26ClNO/c1-5-13-9-15(7-8-16(13)17)19-14(6-2)11-18-10-12(3)4/h7-9,12,14,18H,5-6,10-11H2,1-4H3
InChIKeyJYIBZDCYBDUUHL-UHFFFAOYSA-N
XLogP4.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.84
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-3-ethylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 63497376
2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylpentan-1-amine
CID 83045052
2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylpropan-1-amine
CID 55076773
2-(4-chloro-3-ethylphenoxy)-N-propylpropan-1-amine
CID 62485185
2-(3-ethoxyphenoxy)-N-(2-methylpropyl)butan-1-amine
CID 62441022
N-(2-methylpropyl)-2-[4-(trifluoromethyl)phenoxy]butan-1-amine
CID 62441123
N-(2-methylpropyl)-2-[3-(trifluoromethyl)phenoxy]butan-1-amine
CID 62457234
2-(4-chloro-3-ethylphenoxy)-N-(3-ethoxypropyl)propan-1-amine
CID 62597357
N-[2-(4-chloro-3-ethylphenoxy)pentyl]cyclopropanamine
CID 83044546
(3S)-3-(4-chloro-3-ethylphenoxy)butanoic acid
CID 103547866
2-(4-chloro-2-methylphenoxy)-N-(2-methylpropyl)butan-1-amine
CID 63498764
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)-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 2-(4-chloro-3-ethylphenoxy)-N-(2-methylpropyl)butan-1-amine (CID 55196780) is 2-(4-chloro-3-ethylphenoxy)-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 2-(4-chloro-3-ethylphenoxy)-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 2-(4-chloro-3-ethylphenoxy)-N-(2-methylpropyl)butan-1-amine is CCc1cc(OC(CC)CNCC(C)C)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-ethylphenoxy)-N-(2-methylpropyl)butan-1-amine?
The InChIKey is JYIBZDCYBDUUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO/c1-5-13-9-15(7-8-16(13)17)19-14(6-2)11-18-10-12(3)4/h7-9,12,14,18H,5-6,10-11H2,1-4H3.
What are the key properties of 2-(4-chloro-3-ethylphenoxy)-N-(2-methylpropyl)butan-1-amine?
2-(4-chloro-3-ethylphenoxy)-N-(2-methylpropyl)butan-1-amine has a molecular weight of 283.84 g/mol, XLogP of 4.31, 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)-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 55196780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).