1-[4-chloro-2-(2-ethoxyphenoxy)phenyl]propan-2-amine

C17H20ClNO2 — CID 114862777

IUPAC1-[4-chloro-2-(2-ethoxyphenoxy)phenyl]propan-2-amine
SMILESCCOc1ccccc1Oc1cc(Cl)ccc1CC(C)N
InChIInChI=1S/C17H20ClNO2/c1-3-20-15-6-4-5-7-16(15)21-17-11-14(18)9-8-13(17)10-12(2)19/h4-9,11-12H,3,10,19H2,1-2H3
InChIKeyPLCAATSEHYRUNN-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.42
Rot. Bonds6

About 1-[4-chloro-2-(2-ethoxyphenoxy)phenyl]propan-2-amine

1-[4-chloro-2-(2-ethoxyphenoxy)phenyl]propan-2-amine (PubChem CID 114862777) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 1-[4-chloro-2-(2-ethoxyphenoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-chloro-2-(2-ethoxyphenoxy)phenyl]propan-2-amine
PubChem CID114862777
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name1-[4-chloro-2-(2-ethoxyphenoxy)phenyl]propan-2-amine
SMILESCCOc1ccccc1Oc1cc(Cl)ccc1CC(C)N
InChIInChI=1S/C17H20ClNO2/c1-3-20-15-6-4-5-7-16(15)21-17-11-14(18)9-8-13(17)10-12(2)19/h4-9,11-12H,3,10,19H2,1-2H3
InChIKeyPLCAATSEHYRUNN-UHFFFAOYSA-N
XLogP4.42
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-chloro-2-(2-propan-2-ylphenoxy)phenyl]propan-2-amine
CID 114862989
1-[3-chloro-4-(2-ethoxyphenoxy)phenyl]propan-2-amine
CID 81159950
1-[2-(4-bromophenoxy)-4-chlorophenyl]propan-2-amine
CID 114862844
1-[4-chloro-2-(3-methylphenoxy)phenyl]propan-2-amine
CID 114862908
1-[4-chloro-2-(2-ethylphenoxy)phenyl]butan-2-amine
CID 114863092
1-(2-ethoxy-4-methylphenyl)propan-2-amine
CID 55254147
1-[4-bromo-2-(2-methoxyphenoxy)phenyl]propan-2-amine
CID 63803114
4-chloro-2-(2-ethoxyphenoxy)benzenecarboximidamide
CID 63092515
1-(2-ethoxy-5-fluorophenyl)propan-2-amine
CID 55254144
1-[2-(2-chloro-5-methylphenoxy)phenyl]propan-2-amine
CID 63803481
1-[4-bromo-2-(2-methylphenoxy)phenyl]propan-2-amine
CID 63801754
1-[4-chloro-2-(2,4-difluorophenoxy)phenyl]butan-2-amine
CID 114862712

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-(2-ethoxyphenoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[4-chloro-2-(2-ethoxyphenoxy)phenyl]propan-2-amine (CID 114862777) is 1-[4-chloro-2-(2-ethoxyphenoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[4-chloro-2-(2-ethoxyphenoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[4-chloro-2-(2-ethoxyphenoxy)phenyl]propan-2-amine is CCOc1ccccc1Oc1cc(Cl)ccc1CC(C)N.
What is the InChIKey of 1-[4-chloro-2-(2-ethoxyphenoxy)phenyl]propan-2-amine?
The InChIKey is PLCAATSEHYRUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-3-20-15-6-4-5-7-16(15)21-17-11-14(18)9-8-13(17)10-12(2)19/h4-9,11-12H,3,10,19H2,1-2H3.
What are the key properties of 1-[4-chloro-2-(2-ethoxyphenoxy)phenyl]propan-2-amine?
1-[4-chloro-2-(2-ethoxyphenoxy)phenyl]propan-2-amine has a molecular weight of 305.81 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-(2-ethoxyphenoxy)phenyl]propan-2-amine is sourced from PubChem (CID 114862777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).