1-[2-chloro-3-(cyclopropylmethoxy)phenyl]propan-2-amine

C13H18ClNO — CID 117352245

IUPAC1-[2-chloro-3-(cyclopropylmethoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1cccc(OCC2CC2)c1Cl
InChIInChI=1S/C13H18ClNO/c1-9(15)7-11-3-2-4-12(13(11)14)16-8-10-5-6-10/h2-4,9-10H,5-8,15H2,1H3
InChIKeyJCJKFTUYOCKSSY-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.02
Rot. Bonds5

About 1-[2-chloro-3-(cyclopropylmethoxy)phenyl]propan-2-amine

1-[2-chloro-3-(cyclopropylmethoxy)phenyl]propan-2-amine (PubChem CID 117352245) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 1-[2-chloro-3-(cyclopropylmethoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-chloro-3-(cyclopropylmethoxy)phenyl]propan-2-amine
PubChem CID117352245
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name1-[2-chloro-3-(cyclopropylmethoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1cccc(OCC2CC2)c1Cl
InChIInChI=1S/C13H18ClNO/c1-9(15)7-11-3-2-4-12(13(11)14)16-8-10-5-6-10/h2-4,9-10H,5-8,15H2,1H3
InChIKeyJCJKFTUYOCKSSY-UHFFFAOYSA-N
XLogP3.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

1-[4-(cyclopropylmethoxy)-2-methyl-5-propan-2-ylphenyl]propan-2-amine;hydrochloride
CID 170894108
1-[2-chloro-6-(cyclopentylmethoxy)phenyl]propan-2-amine
CID 113277136
1-[3-ethoxy-2-(oxan-4-ylmethoxy)phenyl]propan-2-amine
CID 62385729
2-[2-chloro-3-(cyclopropylmethoxy)phenyl]acetonitrile
CID 84788345
1-[4-(cyclopropylmethoxy)-2,3-dimethylphenyl]propan-2-amine
CID 170891556
1-[5-chloro-2-(cyclobutylmethoxy)phenyl]propan-2-amine
CID 65459305
1-[3-chloro-2-(2-cyclopropylethoxy)phenyl]propan-2-amine
CID 112615652
1-[2-(cyclopropylmethoxy)-5-propan-2-ylphenyl]propan-2-amine;hydrochloride
CID 170894105
1-[2-(cyclopropylmethoxy)-4,5-difluorophenyl]propan-2-amine;hydrochloride
CID 170894074
1-[3-bromo-4-(cyclopropylmethoxy)phenyl]propan-2-amine
CID 63052009
1-[2-(cyclobutylmethoxy)-5-methylphenyl]propan-2-amine
CID 65459757
1-[5-butan-2-yl-2-(cyclopropylmethoxy)phenyl]propan-2-amine;hydrochloride
CID 170893909

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-3-(cyclopropylmethoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[2-chloro-3-(cyclopropylmethoxy)phenyl]propan-2-amine (CID 117352245) is 1-[2-chloro-3-(cyclopropylmethoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[2-chloro-3-(cyclopropylmethoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[2-chloro-3-(cyclopropylmethoxy)phenyl]propan-2-amine is CC(N)Cc1cccc(OCC2CC2)c1Cl.
What is the InChIKey of 1-[2-chloro-3-(cyclopropylmethoxy)phenyl]propan-2-amine?
The InChIKey is JCJKFTUYOCKSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-9(15)7-11-3-2-4-12(13(11)14)16-8-10-5-6-10/h2-4,9-10H,5-8,15H2,1H3.
What are the key properties of 1-[2-chloro-3-(cyclopropylmethoxy)phenyl]propan-2-amine?
1-[2-chloro-3-(cyclopropylmethoxy)phenyl]propan-2-amine has a molecular weight of 239.75 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-3-(cyclopropylmethoxy)phenyl]propan-2-amine is sourced from PubChem (CID 117352245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).