2-(5-chloro-2-methoxyphenyl)-3-methoxypropan-1-amine

C11H16ClNO2 — CID 116835574

IUPAC2-(5-chloro-2-methoxyphenyl)-3-methoxypropan-1-amine
SMILESCOCC(CN)c1cc(Cl)ccc1OC
InChIInChI=1S/C11H16ClNO2/c1-14-7-8(6-13)10-5-9(12)3-4-11(10)15-2/h3-5,8H,6-7,13H2,1-2H3
InChIKeyGIZZZRJCCLMFBA-UHFFFAOYSA-N
MW229.71 g/mol
LogP2.04
Rot. Bonds5

About 2-(5-chloro-2-methoxyphenyl)-3-methoxypropan-1-amine

2-(5-chloro-2-methoxyphenyl)-3-methoxypropan-1-amine (PubChem CID 116835574) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-3-methoxypropan-1-amine.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-3-methoxypropan-1-amine
PubChem CID116835574
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name2-(5-chloro-2-methoxyphenyl)-3-methoxypropan-1-amine
SMILESCOCC(CN)c1cc(Cl)ccc1OC
InChIInChI=1S/C11H16ClNO2/c1-14-7-8(6-13)10-5-9(12)3-4-11(10)15-2/h3-5,8H,6-7,13H2,1-2H3
InChIKeyGIZZZRJCCLMFBA-UHFFFAOYSA-N
XLogP2.04
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-2-(2-methoxy-5-propan-2-ylphenyl)propan-1-amine
CID 116835584
2-(2,5-dichloro-4-methoxyphenyl)-3-methoxypropan-1-amine
CID 116835620
2-(5-chloro-2-methoxyphenyl)propane-1,3-diol
CID 82113852
2-(5-chloro-2-methoxyphenyl)-3-(2,5-dimethylphenyl)propan-1-amine
CID 82141384
2-(5-chloro-2-methoxyphenyl)-2-phenylethanamine
CID 82501011
4-amino-3-(5-chloro-2-methoxyphenyl)-1,1,1-trifluorobutan-2-ol
CID 65190623
2-(5-chloro-2-methoxyphenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-amine
CID 82140382
2-chloro-1-(5-chloro-2-methoxyphenyl)ethanamine
CID 116937510
1-(5-chloro-2-methoxyphenyl)-N,N,2-trimethylpropane-1,3-diamine
CID 116904651
3-(5-chloro-2-methoxyphenyl)-5-methylhexanamide
CID 112509592
(1S)-1-(5-chloro-2-methoxyphenyl)ethanamine;hydrochloride
CID 171234656
(1R)-1-(5-chloro-2-methoxyphenyl)prop-2-en-1-amine
CID 131139061

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-3-methoxypropan-1-amine?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-3-methoxypropan-1-amine (CID 116835574) is 2-(5-chloro-2-methoxyphenyl)-3-methoxypropan-1-amine.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-3-methoxypropan-1-amine?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-3-methoxypropan-1-amine is COCC(CN)c1cc(Cl)ccc1OC.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-3-methoxypropan-1-amine?
The InChIKey is GIZZZRJCCLMFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2/c1-14-7-8(6-13)10-5-9(12)3-4-11(10)15-2/h3-5,8H,6-7,13H2,1-2H3.
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-3-methoxypropan-1-amine?
2-(5-chloro-2-methoxyphenyl)-3-methoxypropan-1-amine has a molecular weight of 229.71 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-3-methoxypropan-1-amine is sourced from PubChem (CID 116835574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).