2-(2-aminoethyl)-4-chloro-5-ethylphenol

C10H14ClNO — CID 83880601

IUPAC2-(2-aminoethyl)-4-chloro-5-ethylphenol
SMILESCCc1cc(O)c(CCN)cc1Cl
InChIInChI=1S/C10H14ClNO/c1-2-7-6-10(13)8(3-4-12)5-9(7)11/h5-6,13H,2-4,12H2,1H3
InChIKeyUUSRKJCARCHFDO-UHFFFAOYSA-N
MW199.68 g/mol
LogP2.11
Rot. Bonds3

About 2-(2-aminoethyl)-4-chloro-5-ethylphenol

2-(2-aminoethyl)-4-chloro-5-ethylphenol (PubChem CID 83880601) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 2-(2-aminoethyl)-4-chloro-5-ethylphenol.

Molecular Properties

Compound Name2-(2-aminoethyl)-4-chloro-5-ethylphenol
PubChem CID83880601
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name2-(2-aminoethyl)-4-chloro-5-ethylphenol
SMILESCCc1cc(O)c(CCN)cc1Cl
InChIInChI=1S/C10H14ClNO/c1-2-7-6-10(13)8(3-4-12)5-9(7)11/h5-6,13H,2-4,12H2,1H3
InChIKeyUUSRKJCARCHFDO-UHFFFAOYSA-N
XLogP2.11
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-ethyl-5-propylphenol
CID 118092079
5-(2-aminoethyl)benzene-1,2,4-triol chloride
CID 23615875
2-amino-5-(2-aminoethyl)benzene-1,4-diol;dihydrobromide
CID 86775405
5-(2-aminoethyl)benzene-1,2,3,4-tetrol
CID 71395914
2,5-bis(2-aminoethyl)-4-methoxyphenol
CID 117274744
2-(3-aminopropyl)-4-chloro-5-propan-2-ylphenol
CID 117328035
2-(2-chloro-4,5-difluorophenyl)ethanamine;hydrochloride
CID 86091425
4-butyl-6-chlorobenzene-1,3-diol
CID 23195020
2-(2-aminoethyl)-6-chloro-4-methylphenol
CID 83876612
5-(2-aminoethyl)-2,4-dihydroxybenzoic acid
CID 117286645
5-tert-butyl-4-chloro-2-ethylphenol
CID 118092257
methyl 5-(2-aminoethyl)-2,4-dihydroxybenzoate
CID 117301162

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-4-chloro-5-ethylphenol?
The IUPAC name of 2-(2-aminoethyl)-4-chloro-5-ethylphenol (CID 83880601) is 2-(2-aminoethyl)-4-chloro-5-ethylphenol.
What is the SMILES notation for 2-(2-aminoethyl)-4-chloro-5-ethylphenol?
The canonical SMILES for 2-(2-aminoethyl)-4-chloro-5-ethylphenol is CCc1cc(O)c(CCN)cc1Cl.
What is the InChIKey of 2-(2-aminoethyl)-4-chloro-5-ethylphenol?
The InChIKey is UUSRKJCARCHFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-2-7-6-10(13)8(3-4-12)5-9(7)11/h5-6,13H,2-4,12H2,1H3.
What are the key properties of 2-(2-aminoethyl)-4-chloro-5-ethylphenol?
2-(2-aminoethyl)-4-chloro-5-ethylphenol has a molecular weight of 199.68 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-4-chloro-5-ethylphenol is sourced from PubChem (CID 83880601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).