4-(4-chloro-3-ethylphenoxy)-5,5-dimethylhexan-3-amine

C16H26ClNO — CID 63459202

IUPAC4-(4-chloro-3-ethylphenoxy)-5,5-dimethylhexan-3-amine
SMILESCCc1cc(OC(C(N)CC)C(C)(C)C)ccc1Cl
InChIInChI=1S/C16H26ClNO/c1-6-11-10-12(8-9-13(11)17)19-15(14(18)7-2)16(3,4)5/h8-10,14-15H,6-7,18H2,1-5H3
InChIKeyRCKZEAUBBOBWKW-UHFFFAOYSA-N
MW283.84 g/mol
LogP4.43
Rot. Bonds5

About 4-(4-chloro-3-ethylphenoxy)-5,5-dimethylhexan-3-amine

4-(4-chloro-3-ethylphenoxy)-5,5-dimethylhexan-3-amine (PubChem CID 63459202) has the molecular formula C16H26ClNO and a molecular weight of 283.84 g/mol. Its IUPAC name is 4-(4-chloro-3-ethylphenoxy)-5,5-dimethylhexan-3-amine.

Molecular Properties

Compound Name4-(4-chloro-3-ethylphenoxy)-5,5-dimethylhexan-3-amine
PubChem CID63459202
Molecular FormulaC16H26ClNO
Molecular Weight283.84 g/mol
Exact Mass283.17
IUPAC Name4-(4-chloro-3-ethylphenoxy)-5,5-dimethylhexan-3-amine
SMILESCCc1cc(OC(C(N)CC)C(C)(C)C)ccc1Cl
InChIInChI=1S/C16H26ClNO/c1-6-11-10-12(8-9-13(11)17)19-15(14(18)7-2)16(3,4)5/h8-10,14-15H,6-7,18H2,1-5H3
InChIKeyRCKZEAUBBOBWKW-UHFFFAOYSA-N
XLogP4.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.84
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,5-dichlorophenoxy)-5,5-dimethylhexan-3-amine
CID 63459397
4-(4-tert-butylphenoxy)-5,5-dimethylhexan-3-amine
CID 63458446
1-(4-chloro-3-ethylphenoxy)-1-(5-methylfuran-2-yl)butan-2-amine
CID 63460664
4-(3,5-difluorophenoxy)-5,5-dimethylhexan-3-amine
CID 62784471
2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylpropan-1-amine
CID 55076773
(3S)-3-(4-chloro-3-ethylphenoxy)butanoic acid
CID 103547866
1-chloro-2-ethyl-4-(trifluoromethoxy)benzene
CID 70889099
2-(4-chloro-3-ethylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 63497376
2-(4-chloro-3-ethylphenoxy)-N-(2-methylpropyl)butan-1-amine
CID 55196780
2-(4-chloro-3-ethylphenoxy)-N,N-di(propan-2-yl)acetamide
CID 112775393
2-(4-chloro-3-ethylphenoxy)-N-propylpropan-1-amine
CID 62485185
1-(4-chloro-3-ethylphenoxy)-2,3-dimethylbutan-2-ol
CID 114496029

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-ethylphenoxy)-5,5-dimethylhexan-3-amine?
The IUPAC name of 4-(4-chloro-3-ethylphenoxy)-5,5-dimethylhexan-3-amine (CID 63459202) is 4-(4-chloro-3-ethylphenoxy)-5,5-dimethylhexan-3-amine.
What is the SMILES notation for 4-(4-chloro-3-ethylphenoxy)-5,5-dimethylhexan-3-amine?
The canonical SMILES for 4-(4-chloro-3-ethylphenoxy)-5,5-dimethylhexan-3-amine is CCc1cc(OC(C(N)CC)C(C)(C)C)ccc1Cl.
What is the InChIKey of 4-(4-chloro-3-ethylphenoxy)-5,5-dimethylhexan-3-amine?
The InChIKey is RCKZEAUBBOBWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO/c1-6-11-10-12(8-9-13(11)17)19-15(14(18)7-2)16(3,4)5/h8-10,14-15H,6-7,18H2,1-5H3.
What are the key properties of 4-(4-chloro-3-ethylphenoxy)-5,5-dimethylhexan-3-amine?
4-(4-chloro-3-ethylphenoxy)-5,5-dimethylhexan-3-amine has a molecular weight of 283.84 g/mol, XLogP of 4.43, 5 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)-5,5-dimethylhexan-3-amine is sourced from PubChem (CID 63459202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).