2-[(2-chloro-4-methoxyphenyl)-cyclopropylmethoxy]ethanamine

C13H18ClNO2 — CID 112512679

IUPAC2-[(2-chloro-4-methoxyphenyl)-cyclopropylmethoxy]ethanamine
SMILESCOc1ccc(C(OCCN)C2CC2)c(Cl)c1
InChIInChI=1S/C13H18ClNO2/c1-16-10-4-5-11(12(14)8-10)13(9-2-3-9)17-7-6-15/h4-5,8-9,13H,2-3,6-7,15H2,1H3
InChIKeyCSOGSSDVNXJDBC-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.78
Rot. Bonds6

About 2-[(2-chloro-4-methoxyphenyl)-cyclopropylmethoxy]ethanamine

2-[(2-chloro-4-methoxyphenyl)-cyclopropylmethoxy]ethanamine (PubChem CID 112512679) has the molecular formula C13H18ClNO2 and a molecular weight of 255.75 g/mol. Its IUPAC name is 2-[(2-chloro-4-methoxyphenyl)-cyclopropylmethoxy]ethanamine.

Molecular Properties

Compound Name2-[(2-chloro-4-methoxyphenyl)-cyclopropylmethoxy]ethanamine
PubChem CID112512679
Molecular FormulaC13H18ClNO2
Molecular Weight255.75 g/mol
Exact Mass255.10
IUPAC Name2-[(2-chloro-4-methoxyphenyl)-cyclopropylmethoxy]ethanamine
SMILESCOc1ccc(C(OCCN)C2CC2)c(Cl)c1
InChIInChI=1S/C13H18ClNO2/c1-16-10-4-5-11(12(14)8-10)13(9-2-3-9)17-7-6-15/h4-5,8-9,13H,2-3,6-7,15H2,1H3
InChIKeyCSOGSSDVNXJDBC-UHFFFAOYSA-N
XLogP2.78
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-4-methoxyphenyl)-2-cyclobutylethanamine
CID 103162998
(2-chloro-4-methoxyphenyl)methanediamine
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[chloro-(2-chloro-4-methoxyphenyl)methyl]cycloheptane
CID 55200253
chloro-(2-chloro-4-methoxyphenyl)methanamine
CID 116947787
2-(2-chloro-4-methoxyphenoxy)ethanamine;hydrochloride
CID 171150550
(2S)-2-amino-2-(2-chloro-4-methoxyphenyl)ethanol
CID 66514098
3-chloro-1-(2-chloro-4-methoxyphenyl)propan-1-amine
CID 116937731
1-(2-chloro-4-methoxyphenyl)-2-ethylbutan-1-amine
CID 43561758
2-(2-chloro-4-methoxyphenyl)-2-cyclopentylacetic acid
CID 82487741
1-amino-4-(2-chloro-4-methoxyphenyl)hexan-2-ol
CID 83942504
1-(2-chloro-4-methoxyphenyl)-2-pyrrolidin-3-ylethanamine
CID 116936145
(2-chloro-4-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 107126524

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-methoxyphenyl)-cyclopropylmethoxy]ethanamine?
The IUPAC name of 2-[(2-chloro-4-methoxyphenyl)-cyclopropylmethoxy]ethanamine (CID 112512679) is 2-[(2-chloro-4-methoxyphenyl)-cyclopropylmethoxy]ethanamine.
What is the SMILES notation for 2-[(2-chloro-4-methoxyphenyl)-cyclopropylmethoxy]ethanamine?
The canonical SMILES for 2-[(2-chloro-4-methoxyphenyl)-cyclopropylmethoxy]ethanamine is COc1ccc(C(OCCN)C2CC2)c(Cl)c1.
What is the InChIKey of 2-[(2-chloro-4-methoxyphenyl)-cyclopropylmethoxy]ethanamine?
The InChIKey is CSOGSSDVNXJDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-16-10-4-5-11(12(14)8-10)13(9-2-3-9)17-7-6-15/h4-5,8-9,13H,2-3,6-7,15H2,1H3.
What are the key properties of 2-[(2-chloro-4-methoxyphenyl)-cyclopropylmethoxy]ethanamine?
2-[(2-chloro-4-methoxyphenyl)-cyclopropylmethoxy]ethanamine has a molecular weight of 255.75 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-methoxyphenyl)-cyclopropylmethoxy]ethanamine is sourced from PubChem (CID 112512679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).