2-(4-chloro-3-methylphenoxy)-N-propan-2-ylpentan-1-amine

C15H24ClNO — CID 83043937

IUPAC2-(4-chloro-3-methylphenoxy)-N-propan-2-ylpentan-1-amine
SMILESCCCC(CNC(C)C)Oc1ccc(Cl)c(C)c1
InChIInChI=1S/C15H24ClNO/c1-5-6-14(10-17-11(2)3)18-13-7-8-15(16)12(4)9-13/h7-9,11,14,17H,5-6,10H2,1-4H3
InChIKeyKWJCUENRFAILGM-UHFFFAOYSA-N
MW269.82 g/mol
LogP4.19
Rot. Bonds7

About 2-(4-chloro-3-methylphenoxy)-N-propan-2-ylpentan-1-amine

2-(4-chloro-3-methylphenoxy)-N-propan-2-ylpentan-1-amine (PubChem CID 83043937) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-propan-2-ylpentan-1-amine
PubChem CID83043937
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-propan-2-ylpentan-1-amine
SMILESCCCC(CNC(C)C)Oc1ccc(Cl)c(C)c1
InChIInChI=1S/C15H24ClNO/c1-5-6-14(10-17-11(2)3)18-13-7-8-15(16)12(4)9-13/h7-9,11,14,17H,5-6,10H2,1-4H3
InChIKeyKWJCUENRFAILGM-UHFFFAOYSA-N
XLogP4.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-chloro-3-methylphenoxy)-N-propan-2-ylpentan-1-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

2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylpentan-1-amine
CID 83045052
2-(3,5-dimethylphenoxy)-N-propan-2-ylpentan-1-amine
CID 83044144
N-[2-(4-chloro-3-methylphenoxy)-2-phenylethyl]propan-2-amine
CID 63490256
2-(4-tert-butylphenoxy)-N-propan-2-ylpentan-1-amine
CID 83046661
2-(3-iodophenoxy)-N-propan-2-ylpentan-1-amine
CID 83045043
2-(2-methylphenoxy)-N-propan-2-ylpentan-1-amine
CID 83045581
2-(4-chloro-3-methylphenoxy)-N-ethyl-3-methoxypropan-1-amine
CID 103228050
2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylpropan-1-amine
CID 55076773
N-tert-butyl-2-(3,4-dimethylphenoxy)pentan-1-amine
CID 83045946
N-[2-(4-chloro-3-ethylphenoxy)pentyl]cyclopropanamine
CID 83044546
3-(3,4-dichlorophenoxy)-N-methylhexan-1-amine
CID 69455739
2-(4-chloro-3,5-dimethylphenoxy)-N-ethylpentan-1-amine
CID 83046354

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-propan-2-ylpentan-1-amine?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-propan-2-ylpentan-1-amine (CID 83043937) is 2-(4-chloro-3-methylphenoxy)-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-propan-2-ylpentan-1-amine is CCCC(CNC(C)C)Oc1ccc(Cl)c(C)c1.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-propan-2-ylpentan-1-amine?
The InChIKey is KWJCUENRFAILGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-5-6-14(10-17-11(2)3)18-13-7-8-15(16)12(4)9-13/h7-9,11,14,17H,5-6,10H2,1-4H3.
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-propan-2-ylpentan-1-amine?
2-(4-chloro-3-methylphenoxy)-N-propan-2-ylpentan-1-amine has a molecular weight of 269.82 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 83043937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).