2-(4-chloro-2,5-dimethylphenoxy)ethanamine

C10H14ClNO — CID 84669181

IUPAC2-(4-chloro-2,5-dimethylphenoxy)ethanamine
SMILESCc1cc(OCCN)c(C)cc1Cl
InChIInChI=1S/C10H14ClNO/c1-7-6-10(13-4-3-12)8(2)5-9(7)11/h5-6H,3-4,12H2,1-2H3
InChIKeyLGNOLYWIBBKMLB-UHFFFAOYSA-N
MW199.68 g/mol
LogP2.29
Rot. Bonds3

About 2-(4-chloro-2,5-dimethylphenoxy)ethanamine

2-(4-chloro-2,5-dimethylphenoxy)ethanamine (PubChem CID 84669181) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 2-(4-chloro-2,5-dimethylphenoxy)ethanamine.

Molecular Properties

Compound Name2-(4-chloro-2,5-dimethylphenoxy)ethanamine
PubChem CID84669181
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name2-(4-chloro-2,5-dimethylphenoxy)ethanamine
SMILESCc1cc(OCCN)c(C)cc1Cl
InChIInChI=1S/C10H14ClNO/c1-7-6-10(13-4-3-12)8(2)5-9(7)11/h5-6H,3-4,12H2,1-2H3
InChIKeyLGNOLYWIBBKMLB-UHFFFAOYSA-N
XLogP2.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methoxy-4,5-dimethylphenoxy)ethanamine
CID 82491313
O-(4-chloro-2,5-dimethylphenyl)hydroxylamine
CID 117273114
3-(5-chloro-2,4-dimethylphenoxy)propan-1-ol
CID 145226123
2-[4-(2-aminoethoxy)-2-methyl-5-(4-methylphenyl)phenoxy]ethanamine
CID 59894063
2-[2-(4-chloro-2,5-dimethylphenyl)ethoxy]ethanamine
CID 65305515
2-(3-chloro-2-methoxy-5-methylphenoxy)ethanamine
CID 84681449
2-[2-(2-amino-4-methylphenoxy)ethoxy]-5-chloro-4-methylaniline
CID 42643574
1,4-dibutoxy-2,5-dimethylbenzene
CID 20612934
2-(4-bromo-2-chloro-6-methylphenoxy)ethanamine
CID 62599292
4-butoxy-2-chloro-5-methylaniline
CID 115555294
1,4-dichloro-2-ethoxy-5-methylbenzene
CID 18335146
2-[4-(1-fluoro-1-phosphanylethyl)-2-methylphenoxy]ethanamine
CID 155416860

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2,5-dimethylphenoxy)ethanamine?
The IUPAC name of 2-(4-chloro-2,5-dimethylphenoxy)ethanamine (CID 84669181) is 2-(4-chloro-2,5-dimethylphenoxy)ethanamine.
What is the SMILES notation for 2-(4-chloro-2,5-dimethylphenoxy)ethanamine?
The canonical SMILES for 2-(4-chloro-2,5-dimethylphenoxy)ethanamine is Cc1cc(OCCN)c(C)cc1Cl.
What is the InChIKey of 2-(4-chloro-2,5-dimethylphenoxy)ethanamine?
The InChIKey is LGNOLYWIBBKMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-7-6-10(13-4-3-12)8(2)5-9(7)11/h5-6H,3-4,12H2,1-2H3.
What are the key properties of 2-(4-chloro-2,5-dimethylphenoxy)ethanamine?
2-(4-chloro-2,5-dimethylphenoxy)ethanamine has a molecular weight of 199.68 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2,5-dimethylphenoxy)ethanamine is sourced from PubChem (CID 84669181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).