5-chloro-2-ethoxy-N-(3-methylpentan-2-yl)aniline

C14H22ClNO — CID 63451120

IUPAC5-chloro-2-ethoxy-N-(3-methylpentan-2-yl)aniline
SMILESCCOc1ccc(Cl)cc1NC(C)C(C)CC
InChIInChI=1S/C14H22ClNO/c1-5-10(3)11(4)16-13-9-12(15)7-8-14(13)17-6-2/h7-11,16H,5-6H2,1-4H3
InChIKeyJSAJJABOQOJAFL-UHFFFAOYSA-N
MW255.79 g/mol
LogP4.59
Rot. Bonds6

About 5-chloro-2-ethoxy-N-(3-methylpentan-2-yl)aniline

5-chloro-2-ethoxy-N-(3-methylpentan-2-yl)aniline (PubChem CID 63451120) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 5-chloro-2-ethoxy-N-(3-methylpentan-2-yl)aniline.

Molecular Properties

Compound Name5-chloro-2-ethoxy-N-(3-methylpentan-2-yl)aniline
PubChem CID63451120
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name5-chloro-2-ethoxy-N-(3-methylpentan-2-yl)aniline
SMILESCCOc1ccc(Cl)cc1NC(C)C(C)CC
InChIInChI=1S/C14H22ClNO/c1-5-10(3)11(4)16-13-9-12(15)7-8-14(13)17-6-2/h7-11,16H,5-6H2,1-4H3
InChIKeyJSAJJABOQOJAFL-UHFFFAOYSA-N
XLogP4.59
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 ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-[1-(4-chlorophenyl)ethyl]-2-ethoxyaniline
CID 63451342
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5-chloro-N-[1-(2-chlorophenyl)ethyl]-2-ethoxyaniline
CID 63451432
5-chloro-N-(dicyclopropylmethyl)-2-ethoxyaniline
CID 54865533
5-chloro-2-ethoxy-N-(2-methylpentyl)aniline
CID 63451076
5-chloro-2-ethoxy-N-[1-(4-methoxyphenyl)ethyl]aniline
CID 60935115
5-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-2-ethoxyaniline
CID 63451474
N-[1-(5-bromo-2-fluorophenyl)ethyl]-5-chloro-2-ethoxyaniline
CID 82963216
4-chloro-N-(3-methylpentan-2-yl)-2-(trifluoromethyl)aniline
CID 43105999
5-chloro-2-ethoxy-N-[1-(3-methoxyphenyl)ethyl]aniline
CID 60935228
N-(5-chloro-2-ethoxyphenyl)cycloheptanamine
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N-(5-chloro-2-ethoxyphenyl)-2-methoxypropanamide
CID 112685938

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-ethoxy-N-(3-methylpentan-2-yl)aniline?
The IUPAC name of 5-chloro-2-ethoxy-N-(3-methylpentan-2-yl)aniline (CID 63451120) is 5-chloro-2-ethoxy-N-(3-methylpentan-2-yl)aniline.
What is the SMILES notation for 5-chloro-2-ethoxy-N-(3-methylpentan-2-yl)aniline?
The canonical SMILES for 5-chloro-2-ethoxy-N-(3-methylpentan-2-yl)aniline is CCOc1ccc(Cl)cc1NC(C)C(C)CC.
What is the InChIKey of 5-chloro-2-ethoxy-N-(3-methylpentan-2-yl)aniline?
The InChIKey is JSAJJABOQOJAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-5-10(3)11(4)16-13-9-12(15)7-8-14(13)17-6-2/h7-11,16H,5-6H2,1-4H3.
What are the key properties of 5-chloro-2-ethoxy-N-(3-methylpentan-2-yl)aniline?
5-chloro-2-ethoxy-N-(3-methylpentan-2-yl)aniline has a molecular weight of 255.79 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-ethoxy-N-(3-methylpentan-2-yl)aniline is sourced from PubChem (CID 63451120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).