3-chloro-4-ethoxy-N-(1-pyridin-2-ylethyl)aniline

C15H17ClN2O — CID 54863996

IUPAC3-chloro-4-ethoxy-N-(1-pyridin-2-ylethyl)aniline
SMILESCCOc1ccc(NC(C)c2ccccn2)cc1Cl
InChIInChI=1S/C15H17ClN2O/c1-3-19-15-8-7-12(10-13(15)16)18-11(2)14-6-4-5-9-17-14/h4-11,18H,3H2,1-2H3
InChIKeyPBQVWFZHOLYSBA-UHFFFAOYSA-N
MW276.77 g/mol
LogP4.31
Rot. Bonds5

About 3-chloro-4-ethoxy-N-(1-pyridin-2-ylethyl)aniline

3-chloro-4-ethoxy-N-(1-pyridin-2-ylethyl)aniline (PubChem CID 54863996) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 3-chloro-4-ethoxy-N-(1-pyridin-2-ylethyl)aniline.

Molecular Properties

Compound Name3-chloro-4-ethoxy-N-(1-pyridin-2-ylethyl)aniline
PubChem CID54863996
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name3-chloro-4-ethoxy-N-(1-pyridin-2-ylethyl)aniline
SMILESCCOc1ccc(NC(C)c2ccccn2)cc1Cl
InChIInChI=1S/C15H17ClN2O/c1-3-19-15-8-7-12(10-13(15)16)18-11(2)14-6-4-5-9-17-14/h4-11,18H,3H2,1-2H3
InChIKeyPBQVWFZHOLYSBA-UHFFFAOYSA-N
XLogP4.31
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-3-methoxy-N-(1-pyridin-2-ylethyl)aniline
CID 43717313
3-ethoxy-4-methoxy-N-(1-pyridin-2-ylethyl)aniline
CID 43729895
2-ethoxy-4-N-(1-pyridin-2-ylethyl)benzene-1,4-diamine
CID 63671320
3-chloro-4-fluoro-N-(1-pyridin-2-ylethyl)aniline
CID 43119234
2-ethoxy-N-(1-pyridin-2-ylethyl)aniline
CID 43191702
3-chloro-4-ethoxy-N-[1-(4-methoxyphenyl)ethyl]aniline
CID 60943275
3-chloro-4-ethoxy-N-(2-methoxy-1-phenylethyl)aniline
CID 103464030
2-[1-(3-chloro-4-ethoxyanilino)propyl]phenol
CID 60944149
4-chloro-N-(1-pyridin-2-ylethyl)aniline
CID 43194293
3-chloro-N-(1-phenylethyl)-4-propoxyaniline
CID 63451288
3-[1-(3-chloro-4-ethoxyanilino)ethyl]benzonitrile
CID 60943016
3-chloro-4-ethoxy-N-(3-methoxybutan-2-yl)aniline
CID 115917788

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-ethoxy-N-(1-pyridin-2-ylethyl)aniline?
The IUPAC name of 3-chloro-4-ethoxy-N-(1-pyridin-2-ylethyl)aniline (CID 54863996) is 3-chloro-4-ethoxy-N-(1-pyridin-2-ylethyl)aniline.
What is the SMILES notation for 3-chloro-4-ethoxy-N-(1-pyridin-2-ylethyl)aniline?
The canonical SMILES for 3-chloro-4-ethoxy-N-(1-pyridin-2-ylethyl)aniline is CCOc1ccc(NC(C)c2ccccn2)cc1Cl.
What is the InChIKey of 3-chloro-4-ethoxy-N-(1-pyridin-2-ylethyl)aniline?
The InChIKey is PBQVWFZHOLYSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-3-19-15-8-7-12(10-13(15)16)18-11(2)14-6-4-5-9-17-14/h4-11,18H,3H2,1-2H3.
What are the key properties of 3-chloro-4-ethoxy-N-(1-pyridin-2-ylethyl)aniline?
3-chloro-4-ethoxy-N-(1-pyridin-2-ylethyl)aniline has a molecular weight of 276.77 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-ethoxy-N-(1-pyridin-2-ylethyl)aniline is sourced from PubChem (CID 54863996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).