2-[2-chloro-6-(2-cyclopropylethoxy)phenyl]ethanamine

C13H18ClNO — CID 114321436

IUPAC2-[2-chloro-6-(2-cyclopropylethoxy)phenyl]ethanamine
SMILESNCCc1c(Cl)cccc1OCCC1CC1
InChIInChI=1S/C13H18ClNO/c14-12-2-1-3-13(11(12)6-8-15)16-9-7-10-4-5-10/h1-3,10H,4-9,15H2
InChIKeyGMXRDHHYNQNJHX-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.02
Rot. Bonds6

About 2-[2-chloro-6-(2-cyclopropylethoxy)phenyl]ethanamine

2-[2-chloro-6-(2-cyclopropylethoxy)phenyl]ethanamine (PubChem CID 114321436) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 2-[2-chloro-6-(2-cyclopropylethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-chloro-6-(2-cyclopropylethoxy)phenyl]ethanamine
PubChem CID114321436
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name2-[2-chloro-6-(2-cyclopropylethoxy)phenyl]ethanamine
SMILESNCCc1c(Cl)cccc1OCCC1CC1
InChIInChI=1S/C13H18ClNO/c14-12-2-1-3-13(11(12)6-8-15)16-9-7-10-4-5-10/h1-3,10H,4-9,15H2
InChIKeyGMXRDHHYNQNJHX-UHFFFAOYSA-N
XLogP3.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-chloro-6-(2-cyclopropylethoxy)phenyl]methanamine
CID 114318452
2-(2-chloro-6-decoxyphenyl)ethanamine
CID 114321578
2-[2-chloro-6-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanamine
CID 114321645
2-[2-chloro-6-(2,3-dichlorophenoxy)phenyl]ethanamine
CID 63815236
2-[2-chloro-6-(2-methylprop-2-enoxy)phenyl]ethanamine
CID 114321489
2-[2-chloro-6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine
CID 114321572
2-[2-chloro-6-(2-fluorophenoxy)phenyl]ethanamine
CID 63815774
2-chloro-6-(2-cyclobutylethoxy)benzonitrile
CID 106201553
2-[2-chloro-6-(2-methoxyphenoxy)phenyl]ethanamine
CID 55238568
2-chloro-6-(2-cyclohexylethoxy)benzonitrile
CID 114191198
2-[2-[(3-bromophenyl)methoxy]-6-chlorophenyl]ethanamine
CID 114321655
2-[2-chloro-6-(3-phenylprop-2-ynoxy)phenyl]ethanamine
CID 114321429

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-(2-cyclopropylethoxy)phenyl]ethanamine?
The IUPAC name of 2-[2-chloro-6-(2-cyclopropylethoxy)phenyl]ethanamine (CID 114321436) is 2-[2-chloro-6-(2-cyclopropylethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[2-chloro-6-(2-cyclopropylethoxy)phenyl]ethanamine?
The canonical SMILES for 2-[2-chloro-6-(2-cyclopropylethoxy)phenyl]ethanamine is NCCc1c(Cl)cccc1OCCC1CC1.
What is the InChIKey of 2-[2-chloro-6-(2-cyclopropylethoxy)phenyl]ethanamine?
The InChIKey is GMXRDHHYNQNJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c14-12-2-1-3-13(11(12)6-8-15)16-9-7-10-4-5-10/h1-3,10H,4-9,15H2.
What are the key properties of 2-[2-chloro-6-(2-cyclopropylethoxy)phenyl]ethanamine?
2-[2-chloro-6-(2-cyclopropylethoxy)phenyl]ethanamine has a molecular weight of 239.75 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-6-(2-cyclopropylethoxy)phenyl]ethanamine is sourced from PubChem (CID 114321436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).