4-(3-chlorophenoxy)-2,2-dimethylpentan-3-amine

C13H20ClNO — CID 105146009

IUPAC4-(3-chlorophenoxy)-2,2-dimethylpentan-3-amine
SMILESCC(Oc1cccc(Cl)c1)C(N)C(C)(C)C
InChIInChI=1S/C13H20ClNO/c1-9(12(15)13(2,3)4)16-11-7-5-6-10(14)8-11/h5-9,12H,15H2,1-4H3
InChIKeyHQVRPWXUJSKELP-UHFFFAOYSA-N
MW241.76 g/mol
LogP3.48
Rot. Bonds3

About 4-(3-chlorophenoxy)-2,2-dimethylpentan-3-amine

4-(3-chlorophenoxy)-2,2-dimethylpentan-3-amine (PubChem CID 105146009) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 4-(3-chlorophenoxy)-2,2-dimethylpentan-3-amine.

Molecular Properties

Compound Name4-(3-chlorophenoxy)-2,2-dimethylpentan-3-amine
PubChem CID105146009
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name4-(3-chlorophenoxy)-2,2-dimethylpentan-3-amine
SMILESCC(Oc1cccc(Cl)c1)C(N)C(C)(C)C
InChIInChI=1S/C13H20ClNO/c1-9(12(15)13(2,3)4)16-11-7-5-6-10(14)8-11/h5-9,12H,15H2,1-4H3
InChIKeyHQVRPWXUJSKELP-UHFFFAOYSA-N
XLogP3.48
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(3-chlorophenoxy)-2,2-dimethylpentan-3-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

4-(3-chlorophenoxy)-2,2-dimethylpentan-3-ol
CID 105096700
1-chloro-3-propan-2-yloxybenzene;hydrazine
CID 174829987
2-(3-chlorophenoxy)-1-(3,5-dimethylphenyl)propan-1-amine
CID 105097009
2-(3-chlorophenoxy)-1-(2-methylphenyl)propan-1-amine
CID 105094671
2-(3-chlorophenoxy)-1-(4-methylphenyl)propan-1-amine
CID 105092349
2-(3-chlorophenoxy)-1-(2-methoxyphenyl)propan-1-amine
CID 105093487
2-(3-chlorophenoxy)-1-cyclobutylpropan-1-amine
CID 105187467
2-(3-chlorophenoxy)-1-(3,5-difluorophenyl)propan-1-amine
CID 105142039
2-(3-chlorophenoxy)-1-pyrimidin-5-ylpropan-1-amine
CID 105118874
3-(3-chlorophenoxy)-1-cyclopropylbutan-2-amine
CID 105152855
1-(3-chlorophenoxy)-3,3-dimethylbutan-2-amine
CID 105145912
2-(3-chlorophenoxy)-5-methyloctan-3-amine
CID 105137963

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenoxy)-2,2-dimethylpentan-3-amine?
The IUPAC name of 4-(3-chlorophenoxy)-2,2-dimethylpentan-3-amine (CID 105146009) is 4-(3-chlorophenoxy)-2,2-dimethylpentan-3-amine.
What is the SMILES notation for 4-(3-chlorophenoxy)-2,2-dimethylpentan-3-amine?
The canonical SMILES for 4-(3-chlorophenoxy)-2,2-dimethylpentan-3-amine is CC(Oc1cccc(Cl)c1)C(N)C(C)(C)C.
What is the InChIKey of 4-(3-chlorophenoxy)-2,2-dimethylpentan-3-amine?
The InChIKey is HQVRPWXUJSKELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-9(12(15)13(2,3)4)16-11-7-5-6-10(14)8-11/h5-9,12H,15H2,1-4H3.
What are the key properties of 4-(3-chlorophenoxy)-2,2-dimethylpentan-3-amine?
4-(3-chlorophenoxy)-2,2-dimethylpentan-3-amine has a molecular weight of 241.76 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenoxy)-2,2-dimethylpentan-3-amine is sourced from PubChem (CID 105146009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).