4-(3-chloro-6-ethoxy-2,4-dimethylphenyl)butan-1-amine

C14H22ClNO — CID 83937899

IUPAC4-(3-chloro-6-ethoxy-2,4-dimethylphenyl)butan-1-amine
SMILESCCOc1cc(C)c(Cl)c(C)c1CCCCN
InChIInChI=1S/C14H22ClNO/c1-4-17-13-9-10(2)14(15)11(3)12(13)7-5-6-8-16/h9H,4-8,16H2,1-3H3
InChIKeyFWZWZISEZLKHFY-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.64
Rot. Bonds6

About 4-(3-chloro-6-ethoxy-2,4-dimethylphenyl)butan-1-amine

4-(3-chloro-6-ethoxy-2,4-dimethylphenyl)butan-1-amine (PubChem CID 83937899) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 4-(3-chloro-6-ethoxy-2,4-dimethylphenyl)butan-1-amine.

Molecular Properties

Compound Name4-(3-chloro-6-ethoxy-2,4-dimethylphenyl)butan-1-amine
PubChem CID83937899
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name4-(3-chloro-6-ethoxy-2,4-dimethylphenyl)butan-1-amine
SMILESCCOc1cc(C)c(Cl)c(C)c1CCCCN
InChIInChI=1S/C14H22ClNO/c1-4-17-13-9-10(2)14(15)11(3)12(13)7-5-6-8-16/h9H,4-8,16H2,1-3H3
InChIKeyFWZWZISEZLKHFY-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-chloro-6-ethoxy-2,4-dimethylphenyl)propan-1-amine
CID 82265297
5-(3-chloro-6-ethoxy-2,4-dimethylphenyl)pentan-2-amine
CID 83937893
3-chloro-6-ethoxy-2,4-dimethylaniline
CID 82053344
2-(3-chloro-2,4-dimethyl-6-propoxyphenyl)ethanamine
CID 82053378
5-(3-chloro-6-ethoxy-2,4-dimethylphenyl)pentane-2,3-diol
CID 83937949
3-(5-chloro-4-ethoxy-2-methylphenyl)propan-1-amine
CID 95447725
N'-[2-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethyl]ethane-1,2-diamine
CID 115195431
1-[2-(3-chloro-6-ethoxy-2,4-dimethylphenyl)ethyl]piperazine
CID 82265314
4-(3-chloro-6-ethoxy-2,4-dimethylphenyl)-3-methylbutanethioamide
CID 83937886
2,4-dichloro-1,5-diethoxy-3-methylbenzene
CID 90436867
2-(3-chloro-2,4-dimethyl-6-propoxyphenyl)-N-methylethanamine
CID 82553120
N'-(3-chloro-6-methoxy-2,4-dimethylphenyl)butane-1,4-diamine
CID 115201004

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-6-ethoxy-2,4-dimethylphenyl)butan-1-amine?
The IUPAC name of 4-(3-chloro-6-ethoxy-2,4-dimethylphenyl)butan-1-amine (CID 83937899) is 4-(3-chloro-6-ethoxy-2,4-dimethylphenyl)butan-1-amine.
What is the SMILES notation for 4-(3-chloro-6-ethoxy-2,4-dimethylphenyl)butan-1-amine?
The canonical SMILES for 4-(3-chloro-6-ethoxy-2,4-dimethylphenyl)butan-1-amine is CCOc1cc(C)c(Cl)c(C)c1CCCCN.
What is the InChIKey of 4-(3-chloro-6-ethoxy-2,4-dimethylphenyl)butan-1-amine?
The InChIKey is FWZWZISEZLKHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-4-17-13-9-10(2)14(15)11(3)12(13)7-5-6-8-16/h9H,4-8,16H2,1-3H3.
What are the key properties of 4-(3-chloro-6-ethoxy-2,4-dimethylphenyl)butan-1-amine?
4-(3-chloro-6-ethoxy-2,4-dimethylphenyl)butan-1-amine has a molecular weight of 255.79 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-6-ethoxy-2,4-dimethylphenyl)butan-1-amine is sourced from PubChem (CID 83937899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).