5-(4-chloro-2-methylphenoxy)-2,2-dimethylpentan-1-amine

C14H22ClNO — CID 65255914

IUPAC5-(4-chloro-2-methylphenoxy)-2,2-dimethylpentan-1-amine
SMILESCc1cc(Cl)ccc1OCCCC(C)(C)CN
InChIInChI=1S/C14H22ClNO/c1-11-9-12(15)5-6-13(11)17-8-4-7-14(2,3)10-16/h5-6,9H,4,7-8,10,16H2,1-3H3
InChIKeyMKFSGZSVECLMKW-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.79
Rot. Bonds6

About 5-(4-chloro-2-methylphenoxy)-2,2-dimethylpentan-1-amine

5-(4-chloro-2-methylphenoxy)-2,2-dimethylpentan-1-amine (PubChem CID 65255914) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 5-(4-chloro-2-methylphenoxy)-2,2-dimethylpentan-1-amine.

Molecular Properties

Compound Name5-(4-chloro-2-methylphenoxy)-2,2-dimethylpentan-1-amine
PubChem CID65255914
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name5-(4-chloro-2-methylphenoxy)-2,2-dimethylpentan-1-amine
SMILESCc1cc(Cl)ccc1OCCCC(C)(C)CN
InChIInChI=1S/C14H22ClNO/c1-11-9-12(15)5-6-13(11)17-8-4-7-14(2,3)10-16/h5-6,9H,4,7-8,10,16H2,1-3H3
InChIKeyMKFSGZSVECLMKW-UHFFFAOYSA-N
XLogP3.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-(4-chloro-2-methylphenoxy)-2,2-dimethylpentan-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

5-(2,5-dichlorophenoxy)-2,2-dimethylpentan-1-amine
CID 65255805
3-[3-(4-chloro-2-methylphenoxy)propoxy]propan-1-amine
CID 82353373
4-chloro-1-(4-chlorobutoxy)-2-methylbenzene
CID 12928638
5-(2,5-dimethylphenoxy)-2,2-dimethylpentan-1-amine
CID 54855402
1-[3-(4-chloro-2-methylphenoxy)propoxy]-2-methylpropan-2-amine
CID 82354110
5-(4-bromo-2-chlorophenoxy)-2,2-dimethylpentan-1-amine
CID 65255968
[4-[3-(4-chloro-2-methylphenoxy)propoxy]phenyl]methanamine
CID 43531205
4-chloro-2-methyl-1-(4-methylpentoxy)benzene
CID 151139968
N-(3-amino-2,2-dimethylpropyl)-2-(4-chloro-2-methylphenoxy)-N-methylacetamide
CID 119652375
4-(4-chloro-2-methylphenoxy)butanoyl chloride
CID 2757686
5-chloro-N-[2-(4-chloro-2-methylphenoxy)ethyl]-2-methylaniline
CID 54798405
3-(4-chloro-2-methylphenoxy)propanehydrazide
CID 63574293

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-methylphenoxy)-2,2-dimethylpentan-1-amine?
The IUPAC name of 5-(4-chloro-2-methylphenoxy)-2,2-dimethylpentan-1-amine (CID 65255914) is 5-(4-chloro-2-methylphenoxy)-2,2-dimethylpentan-1-amine.
What is the SMILES notation for 5-(4-chloro-2-methylphenoxy)-2,2-dimethylpentan-1-amine?
The canonical SMILES for 5-(4-chloro-2-methylphenoxy)-2,2-dimethylpentan-1-amine is Cc1cc(Cl)ccc1OCCCC(C)(C)CN.
What is the InChIKey of 5-(4-chloro-2-methylphenoxy)-2,2-dimethylpentan-1-amine?
The InChIKey is MKFSGZSVECLMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-11-9-12(15)5-6-13(11)17-8-4-7-14(2,3)10-16/h5-6,9H,4,7-8,10,16H2,1-3H3.
What are the key properties of 5-(4-chloro-2-methylphenoxy)-2,2-dimethylpentan-1-amine?
5-(4-chloro-2-methylphenoxy)-2,2-dimethylpentan-1-amine has a molecular weight of 255.79 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-methylphenoxy)-2,2-dimethylpentan-1-amine is sourced from PubChem (CID 65255914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).