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

C12H16ClNO — CID 117245425

IUPAC3-(2-chlorophenoxy)-2-cyclopropylpropan-1-amine
SMILESNCC(COc1ccccc1Cl)C1CC1
InChIInChI=1S/C12H16ClNO/c13-11-3-1-2-4-12(11)15-8-10(7-14)9-5-6-9/h1-4,9-10H,5-8,14H2
InChIKeyWINRSUSCLOXVJS-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.70
Rot. Bonds5

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

3-(2-chlorophenoxy)-2-cyclopropylpropan-1-amine (PubChem CID 117245425) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 3-(2-chlorophenoxy)-2-cyclopropylpropan-1-amine.

Molecular Properties

Compound Name3-(2-chlorophenoxy)-2-cyclopropylpropan-1-amine
PubChem CID117245425
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name3-(2-chlorophenoxy)-2-cyclopropylpropan-1-amine
SMILESNCC(COc1ccccc1Cl)C1CC1
InChIInChI=1S/C12H16ClNO/c13-11-3-1-2-4-12(11)15-8-10(7-14)9-5-6-9/h1-4,9-10H,5-8,14H2
InChIKeyWINRSUSCLOXVJS-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chlorophenoxy)-2-(1-ethylpiperidin-4-yl)propan-1-amine
CID 117239255
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CID 117237746
3-(2-chlorophenoxy)-2-(1-ethylpiperidin-4-yl)propan-1-ol
CID 117239259
3-(2-methoxyphenoxy)-2-(thiolan-3-yl)propan-1-amine
CID 117237766
(2S)-1-(2-chlorophenoxy)propan-2-amine
CID 42221597
2-[3-amino-2-(oxolan-3-yl)propoxy]phenol
CID 117237737
N-(2-amino-1-cyclopropylethyl)-4-(2-chlorophenoxy)butanamide
CID 119617753
(2R)-1-(2-chlorophenoxy)-3-methylbutan-2-amine
CID 39109828
2-amino-3-(2-chlorophenoxy)propane-1,1-diol
CID 156554315
N-[3-(2-chlorophenoxy)-2-methylpropyl]cyclopropanamine
CID 62454591
3-(2-chlorophenoxy)-2-(5-methylfuran-2-yl)propan-1-amine
CID 117240499
1-(2-chlorophenoxy)-3-[[(1S)-1-cyclohexylethyl]amino]propan-2-ol
CID 81388789

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenoxy)-2-cyclopropylpropan-1-amine?
The IUPAC name of 3-(2-chlorophenoxy)-2-cyclopropylpropan-1-amine (CID 117245425) is 3-(2-chlorophenoxy)-2-cyclopropylpropan-1-amine.
What is the SMILES notation for 3-(2-chlorophenoxy)-2-cyclopropylpropan-1-amine?
The canonical SMILES for 3-(2-chlorophenoxy)-2-cyclopropylpropan-1-amine is NCC(COc1ccccc1Cl)C1CC1.
What is the InChIKey of 3-(2-chlorophenoxy)-2-cyclopropylpropan-1-amine?
The InChIKey is WINRSUSCLOXVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c13-11-3-1-2-4-12(11)15-8-10(7-14)9-5-6-9/h1-4,9-10H,5-8,14H2.
What are the key properties of 3-(2-chlorophenoxy)-2-cyclopropylpropan-1-amine?
3-(2-chlorophenoxy)-2-cyclopropylpropan-1-amine has a molecular weight of 225.72 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenoxy)-2-cyclopropylpropan-1-amine is sourced from PubChem (CID 117245425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).