1-[2-chloro-6-(3-ethylphenoxy)phenyl]propan-2-amine

C17H20ClNO — CID 63815753

IUPAC1-[2-chloro-6-(3-ethylphenoxy)phenyl]propan-2-amine
SMILESCCc1cccc(Oc2cccc(Cl)c2CC(C)N)c1
InChIInChI=1S/C17H20ClNO/c1-3-13-6-4-7-14(11-13)20-17-9-5-8-16(18)15(17)10-12(2)19/h4-9,11-12H,3,10,19H2,1-2H3
InChIKeyLMHVQAJWHICEAE-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.58
Rot. Bonds5

About 1-[2-chloro-6-(3-ethylphenoxy)phenyl]propan-2-amine

1-[2-chloro-6-(3-ethylphenoxy)phenyl]propan-2-amine (PubChem CID 63815753) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 1-[2-chloro-6-(3-ethylphenoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-chloro-6-(3-ethylphenoxy)phenyl]propan-2-amine
PubChem CID63815753
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name1-[2-chloro-6-(3-ethylphenoxy)phenyl]propan-2-amine
SMILESCCc1cccc(Oc2cccc(Cl)c2CC(C)N)c1
InChIInChI=1S/C17H20ClNO/c1-3-13-6-4-7-14(11-13)20-17-9-5-8-16(18)15(17)10-12(2)19/h4-9,11-12H,3,10,19H2,1-2H3
InChIKeyLMHVQAJWHICEAE-UHFFFAOYSA-N
XLogP4.58
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-chloro-6-(3-ethoxyphenoxy)phenyl]propan-2-amine
CID 63802149
1-[3-(3-ethylphenoxy)phenyl]propan-2-amine
CID 63942734
1-[2-chloro-6-(3-chloro-4-fluorophenoxy)phenyl]propan-2-amine
CID 63880238
1-[2-chloro-6-(4-ethoxyphenoxy)phenyl]propan-2-amine
CID 63816825
1-[2-chloro-6-(4-chloro-3,5-dimethylphenoxy)phenyl]propan-2-amine
CID 63803488
1-[4-(3-ethylphenoxy)-3-methylphenyl]propan-2-amine
CID 63815930
1-[3-(2-chlorophenoxy)phenyl]butan-2-amine
CID 63941363
1-[3-(2-methoxyphenoxy)phenyl]propan-2-amine
CID 63943521
1-[2-chloro-6-(2-methylpropoxy)phenyl]propan-2-amine
CID 114321739
1-[2-(3-ethylphenoxy)-5-fluorophenyl]ethanamine
CID 43105896
1-[5-chloro-2-(3-ethylphenoxy)phenyl]butan-2-amine
CID 114862642
1-[2-chloro-6-[(3,5-difluorophenyl)methoxy]phenyl]propan-2-amine
CID 105407334

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-(3-ethylphenoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[2-chloro-6-(3-ethylphenoxy)phenyl]propan-2-amine (CID 63815753) is 1-[2-chloro-6-(3-ethylphenoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[2-chloro-6-(3-ethylphenoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[2-chloro-6-(3-ethylphenoxy)phenyl]propan-2-amine is CCc1cccc(Oc2cccc(Cl)c2CC(C)N)c1.
What is the InChIKey of 1-[2-chloro-6-(3-ethylphenoxy)phenyl]propan-2-amine?
The InChIKey is LMHVQAJWHICEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-3-13-6-4-7-14(11-13)20-17-9-5-8-16(18)15(17)10-12(2)19/h4-9,11-12H,3,10,19H2,1-2H3.
What are the key properties of 1-[2-chloro-6-(3-ethylphenoxy)phenyl]propan-2-amine?
1-[2-chloro-6-(3-ethylphenoxy)phenyl]propan-2-amine has a molecular weight of 289.81 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-(3-ethylphenoxy)phenyl]propan-2-amine is sourced from PubChem (CID 63815753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).