3-(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)propan-1-amine

C13H20ClNO2 — CID 117398109

IUPAC3-(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)propan-1-amine
SMILESCOc1cc(Cl)cc(CCCN)c1OC(C)C
InChIInChI=1S/C13H20ClNO2/c1-9(2)17-13-10(5-4-6-15)7-11(14)8-12(13)16-3/h7-9H,4-6,15H2,1-3H3
InChIKeyDXEMFHUSFMMVFX-UHFFFAOYSA-N
MW257.76 g/mol
LogP3.03
Rot. Bonds6

About 3-(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)propan-1-amine

3-(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)propan-1-amine (PubChem CID 117398109) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is 3-(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)propan-1-amine
PubChem CID117398109
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name3-(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)propan-1-amine
SMILESCOc1cc(Cl)cc(CCCN)c1OC(C)C
InChIInChI=1S/C13H20ClNO2/c1-9(2)17-13-10(5-4-6-15)7-11(14)8-12(13)16-3/h7-9H,4-6,15H2,1-3H3
InChIKeyDXEMFHUSFMMVFX-UHFFFAOYSA-N
XLogP3.03
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-chloro-2-propan-2-yloxyphenyl)propan-1-amine
CID 82263394
4-(2,5-dichloro-3-methoxyphenyl)butan-1-amine
CID 117372775
N-[(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]ethanamine chloride
CID 53347083
(E)-3-(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)prop-2-en-1-amine
CID 117392435
(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl-(2,4,4-trimethylpentan-2-yl)azanium
CID 2236589
2-[2-(2-aminoethyl)-4-chloro-6-methoxyphenoxy]-N-prop-2-ynylpropanamide
CID 104666760
4-(2,5-dimethoxy-4-propan-2-yloxyphenyl)butan-1-amine
CID 117422151
2-[(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]piperidine
CID 117479519
(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methylidenehydrazine
CID 168530261
2-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]ethanamine
CID 117430106
3-(3,6-dimethyl-2-propan-2-yloxyphenyl)propan-1-amine
CID 82266848
2-[2-(2-aminoethyl)-4-chloro-6-methoxyphenoxy]-N-methyl-N-propan-2-ylacetamide
CID 104666718

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)propan-1-amine?
The IUPAC name of 3-(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)propan-1-amine (CID 117398109) is 3-(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)propan-1-amine.
What is the SMILES notation for 3-(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)propan-1-amine?
The canonical SMILES for 3-(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)propan-1-amine is COc1cc(Cl)cc(CCCN)c1OC(C)C.
What is the InChIKey of 3-(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)propan-1-amine?
The InChIKey is DXEMFHUSFMMVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO2/c1-9(2)17-13-10(5-4-6-15)7-11(14)8-12(13)16-3/h7-9H,4-6,15H2,1-3H3.
What are the key properties of 3-(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)propan-1-amine?
3-(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)propan-1-amine has a molecular weight of 257.76 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)propan-1-amine is sourced from PubChem (CID 117398109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).