5-chloro-2-ethoxy-N-(2-methylpentyl)aniline

C14H22ClNO — CID 63451076

IUPAC5-chloro-2-ethoxy-N-(2-methylpentyl)aniline
SMILESCCCC(C)CNc1cc(Cl)ccc1OCC
InChIInChI=1S/C14H22ClNO/c1-4-6-11(3)10-16-13-9-12(15)7-8-14(13)17-5-2/h7-9,11,16H,4-6,10H2,1-3H3
InChIKeyBZXDCMVIEGWNKF-UHFFFAOYSA-N
MW255.79 g/mol
LogP4.59
Rot. Bonds7

About 5-chloro-2-ethoxy-N-(2-methylpentyl)aniline

5-chloro-2-ethoxy-N-(2-methylpentyl)aniline (PubChem CID 63451076) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 5-chloro-2-ethoxy-N-(2-methylpentyl)aniline.

Molecular Properties

Compound Name5-chloro-2-ethoxy-N-(2-methylpentyl)aniline
PubChem CID63451076
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name5-chloro-2-ethoxy-N-(2-methylpentyl)aniline
SMILESCCCC(C)CNc1cc(Cl)ccc1OCC
InChIInChI=1S/C14H22ClNO/c1-4-6-11(3)10-16-13-9-12(15)7-8-14(13)17-5-2/h7-9,11,16H,4-6,10H2,1-3H3
InChIKeyBZXDCMVIEGWNKF-UHFFFAOYSA-N
XLogP4.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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-2-fluoro-N-(2-methylpentyl)aniline
CID 43438253
5-chloro-2-ethoxy-N-(3-methylpentan-2-yl)aniline
CID 63451120
5-chloro-2-ethoxy-N-hexan-2-ylaniline
CID 63451337
2-ethoxy-4-fluoro-N-(2-methylpentyl)aniline
CID 43729973
5-chloro-2,4-dimethoxy-N-(2-methylpentyl)aniline
CID 43095051
5-chloro-N-[1-(4-chlorophenyl)ethyl]-2-ethoxyaniline
CID 63451342
5-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-2-ethoxyaniline
CID 114842110
5-chloro-2-ethoxy-N-[(3-methyloxetan-3-yl)methyl]aniline
CID 107235373
N-(5-chloro-2-ethoxyphenyl)butanamide
CID 61062519
2-[(5-chloro-2-ethoxyanilino)methyl]phenol
CID 54865428
N-(5-chloro-2-ethoxyphenyl)-4-hydroxypentanamide
CID 79204145
3-chloro-N-(2-methylpentyl)aniline
CID 43105827

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-ethoxy-N-(2-methylpentyl)aniline?
The IUPAC name of 5-chloro-2-ethoxy-N-(2-methylpentyl)aniline (CID 63451076) is 5-chloro-2-ethoxy-N-(2-methylpentyl)aniline.
What is the SMILES notation for 5-chloro-2-ethoxy-N-(2-methylpentyl)aniline?
The canonical SMILES for 5-chloro-2-ethoxy-N-(2-methylpentyl)aniline is CCCC(C)CNc1cc(Cl)ccc1OCC.
What is the InChIKey of 5-chloro-2-ethoxy-N-(2-methylpentyl)aniline?
The InChIKey is BZXDCMVIEGWNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-4-6-11(3)10-16-13-9-12(15)7-8-14(13)17-5-2/h7-9,11,16H,4-6,10H2,1-3H3.
What are the key properties of 5-chloro-2-ethoxy-N-(2-methylpentyl)aniline?
5-chloro-2-ethoxy-N-(2-methylpentyl)aniline has a molecular weight of 255.79 g/mol, XLogP of 4.59, 7 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-(2-methylpentyl)aniline is sourced from PubChem (CID 63451076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).