2-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]ethanamine

C13H18ClNO2 — CID 117392715

IUPAC2-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]ethanamine
SMILESCOc1cc(CCN)c(Cl)cc1OCC1CC1
InChIInChI=1S/C13H18ClNO2/c1-16-12-6-10(4-5-15)11(14)7-13(12)17-8-9-2-3-9/h6-7,9H,2-5,8,15H2,1H3
InChIKeyNFAXWFYJXYWULA-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.64
Rot. Bonds6

About 2-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]ethanamine

2-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]ethanamine (PubChem CID 117392715) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is 2-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]ethanamine.

Molecular Properties

Compound Name2-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]ethanamine
PubChem CID117392715
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name2-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]ethanamine
SMILESCOc1cc(CCN)c(Cl)cc1OCC1CC1
InChIInChI=1S/C13H18ClNO2/c1-16-12-6-10(4-5-15)11(14)7-13(12)17-8-9-2-3-9/h6-7,9H,2-5,8,15H2,1H3
InChIKeyNFAXWFYJXYWULA-UHFFFAOYSA-N
XLogP2.64
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]propan-1-ol
CID 117429960
2-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]propan-2-amine
CID 117427905
1-[[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]methyl]piperazine
CID 117495710
2-[2-(cyclopentylmethoxy)-5-methoxyphenyl]ethanamine
CID 61343767
4-(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)butan-1-amine
CID 117479607
4-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]-1,2-oxazol-5-amine
CID 117475333
2-[5-bromo-2-(cyclopropylmethoxy)phenyl]ethanamine
CID 60906211
3-chloro-4-(cyclopropylmethoxy)aniline
CID 19626993
2-(4-chloro-5-fluoro-2-methoxyphenyl)ethanamine
CID 83881713
2-(4-chloro-5-methoxy-2-methylphenyl)ethanamine
CID 59994499
2-(2-bromo-4-ethoxy-5-methoxyphenyl)ethanamine
CID 170868746
N-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]cyclooctanamine
CID 66532495

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]ethanamine?
The IUPAC name of 2-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]ethanamine (CID 117392715) is 2-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]ethanamine.
What is the SMILES notation for 2-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]ethanamine?
The canonical SMILES for 2-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]ethanamine is COc1cc(CCN)c(Cl)cc1OCC1CC1.
What is the InChIKey of 2-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]ethanamine?
The InChIKey is NFAXWFYJXYWULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-16-12-6-10(4-5-15)11(14)7-13(12)17-8-9-2-3-9/h6-7,9H,2-5,8,15H2,1H3.
What are the key properties of 2-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]ethanamine?
2-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]ethanamine has a molecular weight of 255.74 g/mol, XLogP of 2.64, 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-(cyclopropylmethoxy)-5-methoxyphenyl]ethanamine is sourced from PubChem (CID 117392715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).