1-(3-chlorophenoxy)-3-cyclopropylpropan-2-amine

C12H16ClNO — CID 105152729

IUPAC1-(3-chlorophenoxy)-3-cyclopropylpropan-2-amine
SMILESNC(COc1cccc(Cl)c1)CC1CC1
InChIInChI=1S/C12H16ClNO/c13-10-2-1-3-12(7-10)15-8-11(14)6-9-4-5-9/h1-3,7,9,11H,4-6,8,14H2
InChIKeyZVWKGUDMCLQOQX-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.85
Rot. Bonds5

About 1-(3-chlorophenoxy)-3-cyclopropylpropan-2-amine

1-(3-chlorophenoxy)-3-cyclopropylpropan-2-amine (PubChem CID 105152729) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 1-(3-chlorophenoxy)-3-cyclopropylpropan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenoxy)-3-cyclopropylpropan-2-amine
PubChem CID105152729
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name1-(3-chlorophenoxy)-3-cyclopropylpropan-2-amine
SMILESNC(COc1cccc(Cl)c1)CC1CC1
InChIInChI=1S/C12H16ClNO/c13-10-2-1-3-12(7-10)15-8-11(14)6-9-4-5-9/h1-3,7,9,11H,4-6,8,14H2
InChIKeyZVWKGUDMCLQOQX-UHFFFAOYSA-N
XLogP2.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenoxy)-1-(4-ethylcyclohexyl)ethanamine
CID 105155171
3-(3-chlorophenoxy)propane-1,2-diamine
CID 70391291
[1-(3-chlorophenoxy)-3-cyclobutylpropan-2-yl]hydrazine
CID 105309951
1-(3-chlorophenoxy)propan-2-amine;hydrochloride
CID 86262438
2-(3-chlorophenoxy)-1-cyclopropylethanol
CID 105105371
1-(3-chlorophenoxy)-5-methylhexan-2-amine
CID 105126678
3-(3-chlorophenoxy)-1-N,1-N-dimethylpropane-1,2-diamine
CID 116820988
3-(3-chlorophenoxy)-1-cyclopropylbutan-2-amine
CID 105152855
2-(3-chlorophenoxy)-1-(4-ethylcyclohexyl)ethanol
CID 105103670
1-(3-chlorophenoxy)-5-(oxolan-2-yl)pentan-2-amine
CID 105156521
1-(3-chlorophenoxy)but-3-en-2-amine
CID 105161067
1-(3-chlorophenoxy)-3-methylbutan-2-amine;hydrochloride
CID 86262539

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenoxy)-3-cyclopropylpropan-2-amine?
The IUPAC name of 1-(3-chlorophenoxy)-3-cyclopropylpropan-2-amine (CID 105152729) is 1-(3-chlorophenoxy)-3-cyclopropylpropan-2-amine.
What is the SMILES notation for 1-(3-chlorophenoxy)-3-cyclopropylpropan-2-amine?
The canonical SMILES for 1-(3-chlorophenoxy)-3-cyclopropylpropan-2-amine is NC(COc1cccc(Cl)c1)CC1CC1.
What is the InChIKey of 1-(3-chlorophenoxy)-3-cyclopropylpropan-2-amine?
The InChIKey is ZVWKGUDMCLQOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c13-10-2-1-3-12(7-10)15-8-11(14)6-9-4-5-9/h1-3,7,9,11H,4-6,8,14H2.
What are the key properties of 1-(3-chlorophenoxy)-3-cyclopropylpropan-2-amine?
1-(3-chlorophenoxy)-3-cyclopropylpropan-2-amine has a molecular weight of 225.72 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenoxy)-3-cyclopropylpropan-2-amine is sourced from PubChem (CID 105152729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).