(1R)-1-[2-(3,4-dichlorophenoxy)phenyl]propan-1-amine

C15H15Cl2NO — CID 103959328

IUPAC(1R)-1-[2-(3,4-dichlorophenoxy)phenyl]propan-1-amine
SMILESCC[C@@H](N)c1ccccc1Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H15Cl2NO/c1-2-14(18)11-5-3-4-6-15(11)19-10-7-8-12(16)13(17)9-10/h3-9,14H,2,18H2,1H3/t14-/m1/s1
InChIKeyMJMCHBNKCMWTJT-CQSZACIVSA-N
MW296.20 g/mol
LogP5.20
Rot. Bonds4

About (1R)-1-[2-(3,4-dichlorophenoxy)phenyl]propan-1-amine

(1R)-1-[2-(3,4-dichlorophenoxy)phenyl]propan-1-amine (PubChem CID 103959328) has the molecular formula C15H15Cl2NO and a molecular weight of 296.20 g/mol. Its IUPAC name is (1R)-1-[2-(3,4-dichlorophenoxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[2-(3,4-dichlorophenoxy)phenyl]propan-1-amine
PubChem CID103959328
Molecular FormulaC15H15Cl2NO
Molecular Weight296.20 g/mol
Exact Mass295.05
IUPAC Name(1R)-1-[2-(3,4-dichlorophenoxy)phenyl]propan-1-amine
SMILESCC[C@@H](N)c1ccccc1Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H15Cl2NO/c1-2-14(18)11-5-3-4-6-15(11)19-10-7-8-12(16)13(17)9-10/h3-9,14H,2,18H2,1H3/t14-/m1/s1
InChIKeyMJMCHBNKCMWTJT-CQSZACIVSA-N
XLogP5.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.20
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-chloro-3-methylphenoxy)phenyl]propan-1-amine
CID 112678379
1-[2-(3-chloro-4-fluorophenoxy)phenyl]propan-1-amine
CID 112678483
1-[2-(3,4-dimethylphenoxy)phenyl]propan-1-amine
CID 112678409
(1S)-1-[2-(3,4-dimethylphenoxy)phenyl]propan-1-amine
CID 103959252
1-[2-(4-chloro-3,5-dimethylphenoxy)phenyl]propan-1-amine
CID 115995621
(1S)-1-[2-(4-propan-2-ylphenoxy)phenyl]propan-1-amine
CID 103959232
(1R)-1-[2-(3-methoxyphenoxy)phenyl]propan-1-amine
CID 103739046
1-[2-(3-ethoxyphenoxy)phenyl]propan-1-amine
CID 115995673
1-[2-(3,4-dichlorophenoxy)phenyl]ethanol
CID 54898383
(1R)-1-[2-(3-bromo-4-fluorophenoxy)phenyl]propan-1-amine
CID 103959458
1-[2-(2-chloro-4-methylphenoxy)phenyl]propan-1-amine
CID 112678472
3-[2-[(1S)-1-aminopropyl]phenoxy]-N,N-dimethylaniline
CID 103959354

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(3,4-dichlorophenoxy)phenyl]propan-1-amine?
The IUPAC name of (1R)-1-[2-(3,4-dichlorophenoxy)phenyl]propan-1-amine (CID 103959328) is (1R)-1-[2-(3,4-dichlorophenoxy)phenyl]propan-1-amine.
What is the SMILES notation for (1R)-1-[2-(3,4-dichlorophenoxy)phenyl]propan-1-amine?
The canonical SMILES for (1R)-1-[2-(3,4-dichlorophenoxy)phenyl]propan-1-amine is CC[C@@H](N)c1ccccc1Oc1ccc(Cl)c(Cl)c1.
What is the InChIKey of (1R)-1-[2-(3,4-dichlorophenoxy)phenyl]propan-1-amine?
The InChIKey is MJMCHBNKCMWTJT-CQSZACIVSA-N. The full InChI is InChI=1S/C15H15Cl2NO/c1-2-14(18)11-5-3-4-6-15(11)19-10-7-8-12(16)13(17)9-10/h3-9,14H,2,18H2,1H3/t14-/m1/s1.
What are the key properties of (1R)-1-[2-(3,4-dichlorophenoxy)phenyl]propan-1-amine?
(1R)-1-[2-(3,4-dichlorophenoxy)phenyl]propan-1-amine has a molecular weight of 296.20 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(3,4-dichlorophenoxy)phenyl]propan-1-amine is sourced from PubChem (CID 103959328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).