2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylpropan-1-amine

C14H22ClNO — CID 55076773

IUPAC2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylpropan-1-amine
SMILESCCc1cc(OC(C)CNC(C)C)ccc1Cl
InChIInChI=1S/C14H22ClNO/c1-5-12-8-13(6-7-14(12)15)17-11(4)9-16-10(2)3/h6-8,10-11,16H,5,9H2,1-4H3
InChIKeyBSOWLWNZLMLTLC-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.67
Rot. Bonds6

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

2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylpropan-1-amine (PubChem CID 55076773) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylpropan-1-amine
PubChem CID55076773
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylpropan-1-amine
SMILESCCc1cc(OC(C)CNC(C)C)ccc1Cl
InChIInChI=1S/C14H22ClNO/c1-5-12-8-13(6-7-14(12)15)17-11(4)9-16-10(2)3/h6-8,10-11,16H,5,9H2,1-4H3
InChIKeyBSOWLWNZLMLTLC-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

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Related Compounds

2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylpentan-1-amine
CID 83045052
2-(4-chloro-3-ethylphenoxy)-N-propylpropan-1-amine
CID 62485185
(3S)-3-(4-chloro-3-ethylphenoxy)butanoic acid
CID 103547866
1-(4-chloro-3-ethylphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 43247705
2-(4-chloro-3-ethylphenoxy)-N-(3-ethoxypropyl)propan-1-amine
CID 62597357
2-(4-chloro-3-ethylphenoxy)-N-(2-methylpropyl)butan-1-amine
CID 55196780
2-(4-chloro-3-ethylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 63497376
4-(4-chloro-3-ethylphenoxy)-N-propan-2-ylbutan-1-amine
CID 62485010
2-[(4-chloro-3-ethylphenoxy)methyl]-N-propan-2-ylprop-2-en-1-amine
CID 103066944
2-(4-chloro-3-ethylphenoxy)-N-ethyl-2-phenylethanamine
CID 63497723
2-(2,5-dichlorophenoxy)-N-propan-2-ylpropan-1-amine
CID 62450032
2-(3-ethoxyphenoxy)-N-propan-2-ylpropan-1-amine
CID 62440452

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylpropan-1-amine (CID 55076773) is 2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylpropan-1-amine is CCc1cc(OC(C)CNC(C)C)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylpropan-1-amine?
The InChIKey is BSOWLWNZLMLTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-5-12-8-13(6-7-14(12)15)17-11(4)9-16-10(2)3/h6-8,10-11,16H,5,9H2,1-4H3.
What are the key properties of 2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylpropan-1-amine?
2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylpropan-1-amine has a molecular weight of 255.79 g/mol, XLogP of 3.67, 6 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-propan-2-ylpropan-1-amine is sourced from PubChem (CID 55076773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).