5-chloro-N-[1-(oxolan-3-yl)ethyl]-2-propoxyaniline

C15H22ClNO2 — CID 115929019

IUPAC5-chloro-N-[1-(oxolan-3-yl)ethyl]-2-propoxyaniline
SMILESCCCOc1ccc(Cl)cc1NC(C)C1CCOC1
InChIInChI=1S/C15H22ClNO2/c1-3-7-19-15-5-4-13(16)9-14(15)17-11(2)12-6-8-18-10-12/h4-5,9,11-12,17H,3,6-8,10H2,1-2H3
InChIKeyCMXIZSQOKXQALG-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.97
Rot. Bonds6

About 5-chloro-N-[1-(oxolan-3-yl)ethyl]-2-propoxyaniline

5-chloro-N-[1-(oxolan-3-yl)ethyl]-2-propoxyaniline (PubChem CID 115929019) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 5-chloro-N-[1-(oxolan-3-yl)ethyl]-2-propoxyaniline.

Molecular Properties

Compound Name5-chloro-N-[1-(oxolan-3-yl)ethyl]-2-propoxyaniline
PubChem CID115929019
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name5-chloro-N-[1-(oxolan-3-yl)ethyl]-2-propoxyaniline
SMILESCCCOc1ccc(Cl)cc1NC(C)C1CCOC1
InChIInChI=1S/C15H22ClNO2/c1-3-7-19-15-5-4-13(16)9-14(15)17-11(2)12-6-8-18-10-12/h4-5,9,11-12,17H,3,6-8,10H2,1-2H3
InChIKeyCMXIZSQOKXQALG-UHFFFAOYSA-N
XLogP3.97
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[1-(oxolan-3-yl)ethyl]-4-propoxyaniline
CID 115917798
5-chloro-N-hexan-3-yl-2-propoxyaniline
CID 114079555
2-methoxy-5-methyl-N-[1-(oxolan-3-yl)ethyl]aniline
CID 113354819
2-ethoxy-4-methyl-N-[1-(oxolan-3-yl)ethyl]aniline
CID 115929063
5-chloro-N-cyclohexyl-2-propoxyaniline
CID 63453197
6-chloro-N-[1-(oxolan-3-yl)ethyl]quinolin-8-amine
CID 115928689
ethyl (2R)-2-(4-chlorophenyl)-2-[[(1R)-1-[(3S)-oxolan-3-yl]ethyl]amino]acetate
CID 129402434
N-(5-chloro-2-ethoxyphenyl)oxan-4-amine
CID 54865465
5-chloro-N-[1-(3-fluorophenyl)ethyl]-2-propoxyaniline
CID 63453286
5-chloro-N-(dicyclopropylmethyl)-2-ethoxyaniline
CID 54865533
4-fluoro-2-methoxy-N-[1-(oxolan-3-yl)ethyl]aniline
CID 115916579
N-(5-chloro-2-propoxyphenyl)piperidin-4-amine
CID 54907041

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(oxolan-3-yl)ethyl]-2-propoxyaniline?
The IUPAC name of 5-chloro-N-[1-(oxolan-3-yl)ethyl]-2-propoxyaniline (CID 115929019) is 5-chloro-N-[1-(oxolan-3-yl)ethyl]-2-propoxyaniline.
What is the SMILES notation for 5-chloro-N-[1-(oxolan-3-yl)ethyl]-2-propoxyaniline?
The canonical SMILES for 5-chloro-N-[1-(oxolan-3-yl)ethyl]-2-propoxyaniline is CCCOc1ccc(Cl)cc1NC(C)C1CCOC1.
What is the InChIKey of 5-chloro-N-[1-(oxolan-3-yl)ethyl]-2-propoxyaniline?
The InChIKey is CMXIZSQOKXQALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-3-7-19-15-5-4-13(16)9-14(15)17-11(2)12-6-8-18-10-12/h4-5,9,11-12,17H,3,6-8,10H2,1-2H3.
What are the key properties of 5-chloro-N-[1-(oxolan-3-yl)ethyl]-2-propoxyaniline?
5-chloro-N-[1-(oxolan-3-yl)ethyl]-2-propoxyaniline has a molecular weight of 283.80 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(oxolan-3-yl)ethyl]-2-propoxyaniline is sourced from PubChem (CID 115929019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).