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

C13H18ClNO — CID 105152855

IUPAC3-(3-chlorophenoxy)-1-cyclopropylbutan-2-amine
SMILESCC(Oc1cccc(Cl)c1)C(N)CC1CC1
InChIInChI=1S/C13H18ClNO/c1-9(13(15)7-10-5-6-10)16-12-4-2-3-11(14)8-12/h2-4,8-10,13H,5-7,15H2,1H3
InChIKeyMGIBIJVRGPIOPX-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.23
Rot. Bonds5

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

3-(3-chlorophenoxy)-1-cyclopropylbutan-2-amine (PubChem CID 105152855) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 3-(3-chlorophenoxy)-1-cyclopropylbutan-2-amine.

Molecular Properties

Compound Name3-(3-chlorophenoxy)-1-cyclopropylbutan-2-amine
PubChem CID105152855
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name3-(3-chlorophenoxy)-1-cyclopropylbutan-2-amine
SMILESCC(Oc1cccc(Cl)c1)C(N)CC1CC1
InChIInChI=1S/C13H18ClNO/c1-9(13(15)7-10-5-6-10)16-12-4-2-3-11(14)8-12/h2-4,8-10,13H,5-7,15H2,1H3
InChIKeyMGIBIJVRGPIOPX-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(3-chlorophenoxy)-1-cyclopropylbutan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(3-chlorophenoxy)-1-cyclopropylbutan-2-yl]hydrazine
CID 105311025
2-(3-chlorophenoxy)-1-cyclobutylpropan-1-amine
CID 105187467
2-(3-chlorophenoxy)-1-cyclopentyl-N-ethylpropan-1-amine
CID 105080697
1-(3-chlorophenoxy)-3-cyclopropylpropan-2-amine
CID 105152729
2-(3-chlorophenoxy)-5-methyloctan-3-amine
CID 105137963
4-(3-chlorophenoxy)-1-cyclopropyl-N-methylpentan-3-amine
CID 105157730
1-chloro-3-propan-2-yloxybenzene;hydrazine
CID 174829987
1-(4-bromophenyl)-3-(3-chlorophenoxy)butan-2-amine
CID 105089165
2-(3-chlorophenoxy)-6-methylhept-6-en-3-amine
CID 105182592
2-(3-chlorophenoxy)-N-(cyclopropylmethyl)propan-1-amine
CID 62228542
4-(3-chlorophenoxy)-2,2-dimethylpentan-3-amine
CID 105146009
1-(2-chloro-5-fluorophenyl)-3-(3-chlorophenoxy)butan-2-amine
CID 102622785

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenoxy)-1-cyclopropylbutan-2-amine?
The IUPAC name of 3-(3-chlorophenoxy)-1-cyclopropylbutan-2-amine (CID 105152855) is 3-(3-chlorophenoxy)-1-cyclopropylbutan-2-amine.
What is the SMILES notation for 3-(3-chlorophenoxy)-1-cyclopropylbutan-2-amine?
The canonical SMILES for 3-(3-chlorophenoxy)-1-cyclopropylbutan-2-amine is CC(Oc1cccc(Cl)c1)C(N)CC1CC1.
What is the InChIKey of 3-(3-chlorophenoxy)-1-cyclopropylbutan-2-amine?
The InChIKey is MGIBIJVRGPIOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-9(13(15)7-10-5-6-10)16-12-4-2-3-11(14)8-12/h2-4,8-10,13H,5-7,15H2,1H3.
What are the key properties of 3-(3-chlorophenoxy)-1-cyclopropylbutan-2-amine?
3-(3-chlorophenoxy)-1-cyclopropylbutan-2-amine has a molecular weight of 239.75 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenoxy)-1-cyclopropylbutan-2-amine is sourced from PubChem (CID 105152855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).