4-(1-aminoethyl)-5-chloro-2-methoxyphenol;hydrochloride

C9H13Cl2NO2 — CID 57480108

IUPAC4-(1-aminoethyl)-5-chloro-2-methoxyphenol;hydrochloride
SMILESCOc1cc(C(C)N)c(Cl)cc1O.Cl
InChIInChI=1S/C9H12ClNO2.ClH/c1-5(11)6-3-9(13-2)8(12)4-7(6)10;/h3-5,12H,11H2,1-2H3;1H
InChIKeyBEEVTHPRQBFWRU-UHFFFAOYSA-N
MW238.11 g/mol
LogP2.50
Rot. Bonds2

About 4-(1-aminoethyl)-5-chloro-2-methoxyphenol;hydrochloride

4-(1-aminoethyl)-5-chloro-2-methoxyphenol;hydrochloride (PubChem CID 57480108) has the molecular formula C9H13Cl2NO2 and a molecular weight of 238.11 g/mol. Its IUPAC name is 4-(1-aminoethyl)-5-chloro-2-methoxyphenol;hydrochloride.

Molecular Properties

Compound Name4-(1-aminoethyl)-5-chloro-2-methoxyphenol;hydrochloride
PubChem CID57480108
Molecular FormulaC9H13Cl2NO2
Molecular Weight238.11 g/mol
Exact Mass237.03
IUPAC Name4-(1-aminoethyl)-5-chloro-2-methoxyphenol;hydrochloride
SMILESCOc1cc(C(C)N)c(Cl)cc1O.Cl
InChIInChI=1S/C9H12ClNO2.ClH/c1-5(11)6-3-9(13-2)8(12)4-7(6)10;/h3-5,12H,11H2,1-2H3;1H
InChIKeyBEEVTHPRQBFWRU-UHFFFAOYSA-N
XLogP2.50
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.11
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 117287023
5-chloro-2-methoxy-4-[(1R)-1-(methylamino)ethyl]phenol
CID 130664375
4-amino-4-(2-chloro-4-hydroxy-5-methoxyphenyl)butanoic acid
CID 117403332
4-(2-amino-1-fluoroethyl)-5-chloro-2-methoxyphenol
CID 105426027
4-chloro-5-(1-hydroxyethyl)-2-methoxyphenol
CID 84671120
5-(1-aminopropan-2-yl)-4-chloro-2-methoxyphenol
CID 105426015
(1S)-1-(5-chloro-2-methoxyphenyl)ethanamine;hydrochloride
CID 171234656
1-(4-chloro-2-methoxyphenyl)ethanamine;hydrochloride
CID 167530953
2-[(1S)-1-aminoethyl]-4,5-dichlorophenol
CID 96708426
2-(1-aminoethyl)-5-bromo-4-methoxyphenol
CID 84705553
2-(2-chloro-5-hydroxy-4-methoxyphenyl)propanal
CID 105468143
4-[(1S)-1-aminoethyl]-2-methoxyphenol;hydrochloride
CID 171222640

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-5-chloro-2-methoxyphenol;hydrochloride?
The IUPAC name of 4-(1-aminoethyl)-5-chloro-2-methoxyphenol;hydrochloride (CID 57480108) is 4-(1-aminoethyl)-5-chloro-2-methoxyphenol;hydrochloride.
What is the SMILES notation for 4-(1-aminoethyl)-5-chloro-2-methoxyphenol;hydrochloride?
The canonical SMILES for 4-(1-aminoethyl)-5-chloro-2-methoxyphenol;hydrochloride is COc1cc(C(C)N)c(Cl)cc1O.Cl.
What is the InChIKey of 4-(1-aminoethyl)-5-chloro-2-methoxyphenol;hydrochloride?
The InChIKey is BEEVTHPRQBFWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO2.ClH/c1-5(11)6-3-9(13-2)8(12)4-7(6)10;/h3-5,12H,11H2,1-2H3;1H.
What are the key properties of 4-(1-aminoethyl)-5-chloro-2-methoxyphenol;hydrochloride?
4-(1-aminoethyl)-5-chloro-2-methoxyphenol;hydrochloride has a molecular weight of 238.11 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-5-chloro-2-methoxyphenol;hydrochloride is sourced from PubChem (CID 57480108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).