2-[2-(4-chloro-2,5-dimethylphenyl)ethoxy]ethanamine

C12H18ClNO — CID 65305515

IUPAC2-[2-(4-chloro-2,5-dimethylphenyl)ethoxy]ethanamine
SMILESCc1cc(CCOCCN)c(C)cc1Cl
InChIInChI=1S/C12H18ClNO/c1-9-8-12(13)10(2)7-11(9)3-5-15-6-4-14/h7-8H,3-6,14H2,1-2H3
InChIKeyBTJZXAMSKCNNIE-UHFFFAOYSA-N
MW227.73 g/mol
LogP2.47
Rot. Bonds5

About 2-[2-(4-chloro-2,5-dimethylphenyl)ethoxy]ethanamine

2-[2-(4-chloro-2,5-dimethylphenyl)ethoxy]ethanamine (PubChem CID 65305515) has the molecular formula C12H18ClNO and a molecular weight of 227.73 g/mol. Its IUPAC name is 2-[2-(4-chloro-2,5-dimethylphenyl)ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-(4-chloro-2,5-dimethylphenyl)ethoxy]ethanamine
PubChem CID65305515
Molecular FormulaC12H18ClNO
Molecular Weight227.73 g/mol
Exact Mass227.11
IUPAC Name2-[2-(4-chloro-2,5-dimethylphenyl)ethoxy]ethanamine
SMILESCc1cc(CCOCCN)c(C)cc1Cl
InChIInChI=1S/C12H18ClNO/c1-9-8-12(13)10(2)7-11(9)3-5-15-6-4-14/h7-8H,3-6,14H2,1-2H3
InChIKeyBTJZXAMSKCNNIE-UHFFFAOYSA-N
XLogP2.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.73
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[2-(4-chloro-2,5-dimethylphenyl)ethoxy]ethanamine 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-[2-(4-bromo-2,5-dimethylphenyl)ethoxy]ethanamine
CID 65305826
(4-chloro-2,5-dimethylphenyl)methanamine
CID 22980871
2-(4-chloro-2,5-dimethylphenoxy)ethanamine
CID 84669181
ethyl 3-(4-chloro-2,5-dimethylphenyl)propanoate
CID 91605979
2-(4-chloro-5-methoxy-2-methylphenyl)ethanamine
CID 59994499
2-(5-bromo-4-chloro-2-methylphenyl)ethanamine
CID 84803605
1-[2-(4-chloro-2,5-dimethylphenyl)ethyl]cyclopropan-1-amine
CID 105481535
2-[2-(2,4,5-trifluorophenyl)ethoxy]ethanamine
CID 103304871
4-(4-chloro-2,5-dimethylphenyl)-N-(2-methoxyethyl)butan-1-amine
CID 65302883
3-(5-bromo-4-chloro-2-methylphenyl)propan-1-amine
CID 84807112
5-(3-aminopropyl)-2-chloro-4-methylphenol
CID 84775584
2-(2,4,5-trimethylphenyl)ethanamine;hydrochloride
CID 54602364

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chloro-2,5-dimethylphenyl)ethoxy]ethanamine?
The IUPAC name of 2-[2-(4-chloro-2,5-dimethylphenyl)ethoxy]ethanamine (CID 65305515) is 2-[2-(4-chloro-2,5-dimethylphenyl)ethoxy]ethanamine.
What is the SMILES notation for 2-[2-(4-chloro-2,5-dimethylphenyl)ethoxy]ethanamine?
The canonical SMILES for 2-[2-(4-chloro-2,5-dimethylphenyl)ethoxy]ethanamine is Cc1cc(CCOCCN)c(C)cc1Cl.
What is the InChIKey of 2-[2-(4-chloro-2,5-dimethylphenyl)ethoxy]ethanamine?
The InChIKey is BTJZXAMSKCNNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO/c1-9-8-12(13)10(2)7-11(9)3-5-15-6-4-14/h7-8H,3-6,14H2,1-2H3.
What are the key properties of 2-[2-(4-chloro-2,5-dimethylphenyl)ethoxy]ethanamine?
2-[2-(4-chloro-2,5-dimethylphenyl)ethoxy]ethanamine has a molecular weight of 227.73 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chloro-2,5-dimethylphenyl)ethoxy]ethanamine is sourced from PubChem (CID 65305515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).