3-(2-chloro-4,6-dimethoxyphenyl)propan-1-amine

C11H16ClNO2 — CID 117331589

IUPAC3-(2-chloro-4,6-dimethoxyphenyl)propan-1-amine
SMILESCOc1cc(Cl)c(CCCN)c(OC)c1
InChIInChI=1S/C11H16ClNO2/c1-14-8-6-10(12)9(4-3-5-13)11(7-8)15-2/h6-7H,3-5,13H2,1-2H3
InChIKeyLNAGIZISLFSEQT-UHFFFAOYSA-N
MW229.71 g/mol
LogP2.25
Rot. Bonds5

About 3-(2-chloro-4,6-dimethoxyphenyl)propan-1-amine

3-(2-chloro-4,6-dimethoxyphenyl)propan-1-amine (PubChem CID 117331589) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is 3-(2-chloro-4,6-dimethoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-chloro-4,6-dimethoxyphenyl)propan-1-amine
PubChem CID117331589
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name3-(2-chloro-4,6-dimethoxyphenyl)propan-1-amine
SMILESCOc1cc(Cl)c(CCCN)c(OC)c1
InChIInChI=1S/C11H16ClNO2/c1-14-8-6-10(12)9(4-3-5-13)11(7-8)15-2/h6-7H,3-5,13H2,1-2H3
InChIKeyLNAGIZISLFSEQT-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-dichloro-4-methoxyphenyl)ethanamine
CID 82616097
3-(5-chloro-2,3-dimethoxy-6-methylphenyl)propan-1-amine
CID 117361452
N'-[2-(2,4,6-trimethoxyphenyl)ethyl]propane-1,3-diamine
CID 115197367
3-(3-chloro-2,4-difluoro-6-methoxyphenyl)propan-1-amine
CID 84797782
4-(2-ethyl-3,5-dimethoxyphenyl)butan-1-amine
CID 117347671
3-(2-chloro-3,6-dimethoxyphenyl)propan-1-amine
CID 84793335
3-(2,4-difluoro-6-methoxyphenyl)propan-1-amine
CID 84776163
3-(6-chloro-2,3-dimethoxyphenyl)propan-1-amine
CID 117331594
3-(5-chloro-4-methoxy-2-methylphenyl)propan-1-amine
CID 82284469
3-[10-(3-aminopropyl)-2,3,6,7-tetramethoxyanthracen-9-yl]propan-1-amine;dihydrochloride
CID 10390646
3-(2-chloro-5,6-dimethoxy-3-methylphenyl)propan-1-amine
CID 117361455
3-(4-chloro-2,3-dimethoxy-6-methylphenyl)propan-1-amine
CID 117361457

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4,6-dimethoxyphenyl)propan-1-amine?
The IUPAC name of 3-(2-chloro-4,6-dimethoxyphenyl)propan-1-amine (CID 117331589) is 3-(2-chloro-4,6-dimethoxyphenyl)propan-1-amine.
What is the SMILES notation for 3-(2-chloro-4,6-dimethoxyphenyl)propan-1-amine?
The canonical SMILES for 3-(2-chloro-4,6-dimethoxyphenyl)propan-1-amine is COc1cc(Cl)c(CCCN)c(OC)c1.
What is the InChIKey of 3-(2-chloro-4,6-dimethoxyphenyl)propan-1-amine?
The InChIKey is LNAGIZISLFSEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2/c1-14-8-6-10(12)9(4-3-5-13)11(7-8)15-2/h6-7H,3-5,13H2,1-2H3.
What are the key properties of 3-(2-chloro-4,6-dimethoxyphenyl)propan-1-amine?
3-(2-chloro-4,6-dimethoxyphenyl)propan-1-amine has a molecular weight of 229.71 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4,6-dimethoxyphenyl)propan-1-amine is sourced from PubChem (CID 117331589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).