2-[2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]ethylamino]ethanol

C14H23ClN2O3 — CID 4721160

IUPAC2-[2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]ethylamino]ethanol
SMILESCCOc1c(Cl)cc(CNCCNCCO)cc1OC
InChIInChI=1S/C14H23ClN2O3/c1-3-20-14-12(15)8-11(9-13(14)19-2)10-17-5-4-16-6-7-18/h8-9,16-18H,3-7,10H2,1-2H3
InChIKeyRVQQFCDKSWVAKM-UHFFFAOYSA-N
MW302.80 g/mol
LogP1.42
Rot. Bonds10

About 2-[2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]ethylamino]ethanol

2-[2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]ethylamino]ethanol (PubChem CID 4721160) has the molecular formula C14H23ClN2O3 and a molecular weight of 302.80 g/mol. Its IUPAC name is 2-[2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]ethylamino]ethanol.

Molecular Properties

Compound Name2-[2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]ethylamino]ethanol
PubChem CID4721160
Molecular FormulaC14H23ClN2O3
Molecular Weight302.80 g/mol
Exact Mass302.14
IUPAC Name2-[2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]ethylamino]ethanol
SMILESCCOc1c(Cl)cc(CNCCNCCO)cc1OC
InChIInChI=1S/C14H23ClN2O3/c1-3-20-14-12(15)8-11(9-13(14)19-2)10-17-5-4-16-6-7-18/h8-9,16-18H,3-7,10H2,1-2H3
InChIKeyRVQQFCDKSWVAKM-UHFFFAOYSA-N
XLogP1.42
TPSA62.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.80
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[(3-chloro-4,5-diethoxyphenyl)methylamino]propylamino]ethanol;dihydrochloride
CID 17214206
2-[3-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylamino]propylamino]ethanol;dihydrochloride
CID 17214212
N'-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-N-ethylpropane-1,3-diamine
CID 17215592
2-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylamino]ethanol;hydrochloride
CID 2958913
N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-(4-chlorophenyl)ethanamine
CID 17208572
2-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethanol
CID 2215596
1-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]propan-2-ol
CID 4717439
3-butoxy-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]propan-1-amine
CID 17207747
2-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethanol;hydrochloride
CID 2960435
[1-[[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]methyl]cyclopropyl]methanol
CID 111579336
1,3-bis[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]urea
CID 166185875
2-[3-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]propylamino]ethanol;dihydrochloride
CID 17214160

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]ethylamino]ethanol?
The IUPAC name of 2-[2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]ethylamino]ethanol (CID 4721160) is 2-[2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]ethylamino]ethanol.
What is the SMILES notation for 2-[2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]ethylamino]ethanol?
The canonical SMILES for 2-[2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]ethylamino]ethanol is CCOc1c(Cl)cc(CNCCNCCO)cc1OC.
What is the InChIKey of 2-[2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]ethylamino]ethanol?
The InChIKey is RVQQFCDKSWVAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O3/c1-3-20-14-12(15)8-11(9-13(14)19-2)10-17-5-4-16-6-7-18/h8-9,16-18H,3-7,10H2,1-2H3.
What are the key properties of 2-[2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]ethylamino]ethanol?
2-[2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]ethylamino]ethanol has a molecular weight of 302.80 g/mol, XLogP of 1.42, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]ethylamino]ethanol is sourced from PubChem (CID 4721160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).