5-(3-chloro-6-ethoxy-2,4-dimethylphenyl)pentan-2-amine

C15H24ClNO — CID 83937893

IUPAC5-(3-chloro-6-ethoxy-2,4-dimethylphenyl)pentan-2-amine
SMILESCCOc1cc(C)c(Cl)c(C)c1CCCC(C)N
InChIInChI=1S/C15H24ClNO/c1-5-18-14-9-10(2)15(16)12(4)13(14)8-6-7-11(3)17/h9,11H,5-8,17H2,1-4H3
InChIKeyOBKICCNZMBMMAS-UHFFFAOYSA-N
MW269.82 g/mol
LogP4.03
Rot. Bonds6

About 5-(3-chloro-6-ethoxy-2,4-dimethylphenyl)pentan-2-amine

5-(3-chloro-6-ethoxy-2,4-dimethylphenyl)pentan-2-amine (PubChem CID 83937893) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 5-(3-chloro-6-ethoxy-2,4-dimethylphenyl)pentan-2-amine.

Molecular Properties

Compound Name5-(3-chloro-6-ethoxy-2,4-dimethylphenyl)pentan-2-amine
PubChem CID83937893
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name5-(3-chloro-6-ethoxy-2,4-dimethylphenyl)pentan-2-amine
SMILESCCOc1cc(C)c(Cl)c(C)c1CCCC(C)N
InChIInChI=1S/C15H24ClNO/c1-5-18-14-9-10(2)15(16)12(4)13(14)8-6-7-11(3)17/h9,11H,5-8,17H2,1-4H3
InChIKeyOBKICCNZMBMMAS-UHFFFAOYSA-N
XLogP4.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chloro-6-ethoxy-2,4-dimethylphenyl)propan-1-amine
CID 82265297
4-(3-chloro-6-ethoxy-2,4-dimethylphenyl)butan-1-amine
CID 83937899
5-(3-chloro-6-ethoxy-2,4-dimethylphenyl)pentane-2,3-diol
CID 83937949
3-chloro-6-ethoxy-2,4-dimethylaniline
CID 82053344
5-(2,3,6-trimethyl-4-propoxyphenyl)pentan-2-amine
CID 83939600
4-(3-chloro-6-ethoxy-2,4-dimethylphenyl)-3-methylbutanethioamide
CID 83937886
2-(3-chloro-2,4-dimethyl-6-propoxyphenyl)ethanamine
CID 82053378
1-[2-(3-chloro-6-ethoxy-2,4-dimethylphenyl)ethyl]piperazine
CID 82265314
2-[1-(3-chloro-6-ethoxy-2,4-dimethylphenyl)propan-2-yl]-3-ethyloxirane
CID 83937936
2-amino-1-(3-chloro-6-ethoxy-2,4-dimethylphenyl)-4-(dimethylamino)butan-1-ol
CID 83937865
5-(4-ethoxy-2,3,6-trimethylphenyl)hexan-2-amine
CID 83939473
1-(3-chloro-2,4-dimethyl-6-propoxyphenyl)butan-2-amine
CID 170890034

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-6-ethoxy-2,4-dimethylphenyl)pentan-2-amine?
The IUPAC name of 5-(3-chloro-6-ethoxy-2,4-dimethylphenyl)pentan-2-amine (CID 83937893) is 5-(3-chloro-6-ethoxy-2,4-dimethylphenyl)pentan-2-amine.
What is the SMILES notation for 5-(3-chloro-6-ethoxy-2,4-dimethylphenyl)pentan-2-amine?
The canonical SMILES for 5-(3-chloro-6-ethoxy-2,4-dimethylphenyl)pentan-2-amine is CCOc1cc(C)c(Cl)c(C)c1CCCC(C)N.
What is the InChIKey of 5-(3-chloro-6-ethoxy-2,4-dimethylphenyl)pentan-2-amine?
The InChIKey is OBKICCNZMBMMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-5-18-14-9-10(2)15(16)12(4)13(14)8-6-7-11(3)17/h9,11H,5-8,17H2,1-4H3.
What are the key properties of 5-(3-chloro-6-ethoxy-2,4-dimethylphenyl)pentan-2-amine?
5-(3-chloro-6-ethoxy-2,4-dimethylphenyl)pentan-2-amine has a molecular weight of 269.82 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-6-ethoxy-2,4-dimethylphenyl)pentan-2-amine is sourced from PubChem (CID 83937893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).