5-chloro-2-propoxy-N-(1-pyridin-2-ylethyl)aniline

C16H19ClN2O — CID 60934913

IUPAC5-chloro-2-propoxy-N-(1-pyridin-2-ylethyl)aniline
SMILESCCCOc1ccc(Cl)cc1NC(C)c1ccccn1
InChIInChI=1S/C16H19ClN2O/c1-3-10-20-16-8-7-13(17)11-15(16)19-12(2)14-6-4-5-9-18-14/h4-9,11-12,19H,3,10H2,1-2H3
InChIKeyVIROVPNCRUANIH-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.70
Rot. Bonds6

About 5-chloro-2-propoxy-N-(1-pyridin-2-ylethyl)aniline

5-chloro-2-propoxy-N-(1-pyridin-2-ylethyl)aniline (PubChem CID 60934913) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 5-chloro-2-propoxy-N-(1-pyridin-2-ylethyl)aniline.

Molecular Properties

Compound Name5-chloro-2-propoxy-N-(1-pyridin-2-ylethyl)aniline
PubChem CID60934913
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name5-chloro-2-propoxy-N-(1-pyridin-2-ylethyl)aniline
SMILESCCCOc1ccc(Cl)cc1NC(C)c1ccccn1
InChIInChI=1S/C16H19ClN2O/c1-3-10-20-16-8-7-13(17)11-15(16)19-12(2)14-6-4-5-9-18-14/h4-9,11-12,19H,3,10H2,1-2H3
InChIKeyVIROVPNCRUANIH-UHFFFAOYSA-N
XLogP4.70
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[1-(3-fluorophenyl)ethyl]-2-propoxyaniline
CID 63453286
4-chloro-1-N,1-N-dimethyl-2-N-(1-pyridin-2-ylethyl)benzene-1,2-diamine
CID 43741094
4-chloro-1-N-(1-pyridin-2-ylethyl)benzene-1,2-diamine
CID 43524369
2-ethoxy-N-(1-pyridin-2-ylethyl)aniline
CID 43191702
4-chloro-2,5-dimethoxy-N-(1-pyridin-2-ylethyl)aniline
CID 43192168
N-[1-(4-chlorophenyl)ethyl]-2-propoxyaniline
CID 43682265
5-chloro-N-hexan-3-yl-2-propoxyaniline
CID 114079555
3-chloro-4-ethoxy-N-(1-pyridin-2-ylethyl)aniline
CID 54863996
4-chloro-N-(1-pyridin-2-ylethyl)aniline
CID 43194293
5-chloro-N-[1-(2-chlorophenyl)ethyl]-2-ethoxyaniline
CID 63451432
2-chloro-N-(1-pyridin-2-ylethyl)pyridin-3-amine
CID 43689899
1-(5-chloro-2-methoxyphenyl)-3-(1-pyridin-2-ylethyl)urea
CID 17182579

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-propoxy-N-(1-pyridin-2-ylethyl)aniline?
The IUPAC name of 5-chloro-2-propoxy-N-(1-pyridin-2-ylethyl)aniline (CID 60934913) is 5-chloro-2-propoxy-N-(1-pyridin-2-ylethyl)aniline.
What is the SMILES notation for 5-chloro-2-propoxy-N-(1-pyridin-2-ylethyl)aniline?
The canonical SMILES for 5-chloro-2-propoxy-N-(1-pyridin-2-ylethyl)aniline is CCCOc1ccc(Cl)cc1NC(C)c1ccccn1.
What is the InChIKey of 5-chloro-2-propoxy-N-(1-pyridin-2-ylethyl)aniline?
The InChIKey is VIROVPNCRUANIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-3-10-20-16-8-7-13(17)11-15(16)19-12(2)14-6-4-5-9-18-14/h4-9,11-12,19H,3,10H2,1-2H3.
What are the key properties of 5-chloro-2-propoxy-N-(1-pyridin-2-ylethyl)aniline?
5-chloro-2-propoxy-N-(1-pyridin-2-ylethyl)aniline has a molecular weight of 290.79 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-propoxy-N-(1-pyridin-2-ylethyl)aniline is sourced from PubChem (CID 60934913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).