4-[1-amino-3-(3-chloro-4-ethoxyphenyl)propan-2-yl]phenol

C17H20ClNO2 — CID 83975417

IUPAC4-[1-amino-3-(3-chloro-4-ethoxyphenyl)propan-2-yl]phenol
SMILESCCOc1ccc(CC(CN)c2ccc(O)cc2)cc1Cl
InChIInChI=1S/C17H20ClNO2/c1-2-21-17-8-3-12(10-16(17)18)9-14(11-19)13-4-6-15(20)7-5-13/h3-8,10,14,20H,2,9,11,19H2,1H3
InChIKeyFEBSAGBTKSRZMS-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.73
Rot. Bonds6

About 4-[1-amino-3-(3-chloro-4-ethoxyphenyl)propan-2-yl]phenol

4-[1-amino-3-(3-chloro-4-ethoxyphenyl)propan-2-yl]phenol (PubChem CID 83975417) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 4-[1-amino-3-(3-chloro-4-ethoxyphenyl)propan-2-yl]phenol.

Molecular Properties

Compound Name4-[1-amino-3-(3-chloro-4-ethoxyphenyl)propan-2-yl]phenol
PubChem CID83975417
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name4-[1-amino-3-(3-chloro-4-ethoxyphenyl)propan-2-yl]phenol
SMILESCCOc1ccc(CC(CN)c2ccc(O)cc2)cc1Cl
InChIInChI=1S/C17H20ClNO2/c1-2-21-17-8-3-12(10-16(17)18)9-14(11-19)13-4-6-15(20)7-5-13/h3-8,10,14,20H,2,9,11,19H2,1H3
InChIKeyFEBSAGBTKSRZMS-UHFFFAOYSA-N
XLogP3.73
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-amino-2-(3-chloro-4-ethoxyphenyl)propyl]-2-chlorophenol
CID 83973519
3-(3-chloro-4-ethoxyphenyl)-2-(3,5-dimethylphenyl)propan-1-amine
CID 83977058
3-(3-chloro-4-ethoxyphenyl)-2-(3,4-difluorophenyl)propan-1-amine
CID 83973712
3-(3,4-diethoxyphenyl)-2-(4-ethylphenyl)propan-1-amine
CID 83973025
3-(3-ethoxy-4-methoxyphenyl)-2-(4-propan-2-ylphenyl)propan-1-amine
CID 83973107
4-[3-amino-2-(3-chloro-4-methoxyphenyl)propyl]-2-chlorophenol
CID 83973477
4-[1-amino-3-(3-methoxy-4-pentoxyphenyl)propan-2-yl]phenol
CID 83975407
3-(3-chloro-4-methoxyphenyl)-2-phenylpropan-1-amine
CID 82141792
3-(4-chlorophenyl)-2-(4-ethoxy-3-methylphenyl)propan-1-amine
CID 83974093
4-[1-amino-3-(2,4-diethoxyphenyl)propan-2-yl]phenol
CID 83975416
3-(3-chloro-4-ethoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 83977361
2-(3-chloro-4-methoxyphenyl)-3-(3,4-dichlorophenyl)propan-1-amine
CID 112538861

Frequently Asked Questions

What is the IUPAC name of 4-[1-amino-3-(3-chloro-4-ethoxyphenyl)propan-2-yl]phenol?
The IUPAC name of 4-[1-amino-3-(3-chloro-4-ethoxyphenyl)propan-2-yl]phenol (CID 83975417) is 4-[1-amino-3-(3-chloro-4-ethoxyphenyl)propan-2-yl]phenol.
What is the SMILES notation for 4-[1-amino-3-(3-chloro-4-ethoxyphenyl)propan-2-yl]phenol?
The canonical SMILES for 4-[1-amino-3-(3-chloro-4-ethoxyphenyl)propan-2-yl]phenol is CCOc1ccc(CC(CN)c2ccc(O)cc2)cc1Cl.
What is the InChIKey of 4-[1-amino-3-(3-chloro-4-ethoxyphenyl)propan-2-yl]phenol?
The InChIKey is FEBSAGBTKSRZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-2-21-17-8-3-12(10-16(17)18)9-14(11-19)13-4-6-15(20)7-5-13/h3-8,10,14,20H,2,9,11,19H2,1H3.
What are the key properties of 4-[1-amino-3-(3-chloro-4-ethoxyphenyl)propan-2-yl]phenol?
4-[1-amino-3-(3-chloro-4-ethoxyphenyl)propan-2-yl]phenol has a molecular weight of 305.81 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-amino-3-(3-chloro-4-ethoxyphenyl)propan-2-yl]phenol is sourced from PubChem (CID 83975417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).