(2R)-1-[6-chloro-5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]propan-2-amine

C15H15Cl3N2O — CID 59077089

IUPAC(2R)-1-[6-chloro-5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]propan-2-amine
SMILESC[C@@H](N)Cc1ccc(OCc2c(Cl)cccc2Cl)c(Cl)n1
InChIInChI=1S/C15H15Cl3N2O/c1-9(19)7-10-5-6-14(15(18)20-10)21-8-11-12(16)3-2-4-13(11)17/h2-6,9H,7-8,19H2,1H3/t9-/m1/s1
InChIKeyXGHHSIINYYMWSQ-SECBINFHSA-N
MW345.66 g/mol
LogP4.51
Rot. Bonds5

About (2R)-1-[6-chloro-5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]propan-2-amine

(2R)-1-[6-chloro-5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]propan-2-amine (PubChem CID 59077089) has the molecular formula C15H15Cl3N2O and a molecular weight of 345.66 g/mol. Its IUPAC name is (2R)-1-[6-chloro-5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]propan-2-amine.

Molecular Properties

Compound Name(2R)-1-[6-chloro-5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]propan-2-amine
PubChem CID59077089
Molecular FormulaC15H15Cl3N2O
Molecular Weight345.66 g/mol
Exact Mass344.02
IUPAC Name(2R)-1-[6-chloro-5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]propan-2-amine
SMILESC[C@@H](N)Cc1ccc(OCc2c(Cl)cccc2Cl)c(Cl)n1
InChIInChI=1S/C15H15Cl3N2O/c1-9(19)7-10-5-6-14(15(18)20-10)21-8-11-12(16)3-2-4-13(11)17/h2-6,9H,7-8,19H2,1H3/t9-/m1/s1
InChIKeyXGHHSIINYYMWSQ-SECBINFHSA-N
XLogP4.51
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.66
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-[5-chloro-2-[(2,6-dichlorophenyl)methoxy]phenyl]ethanamine
CID 63485360
1-[2-chloro-6-(thiophen-2-ylmethoxy)phenyl]propan-2-amine
CID 113277151
1-[2-chloro-6-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-2-amine
CID 114321907
1-[2-chloro-6-(2-methylpropoxy)phenyl]propan-2-amine
CID 114321739
1-[3-chloro-4-[(6-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine
CID 79260536
(2R)-1-[(2,6-dichlorophenyl)methoxy]propan-2-amine
CID 97057932
(1S)-1-[2-[(2,6-dichlorophenyl)methoxy]phenyl]propan-1-amine
CID 78944066
1-[2-[(2-bromophenyl)methoxy]-6-chlorophenyl]propan-2-amine
CID 114321926
1-[2-chloro-6-[(3,5-difluorophenyl)methoxy]phenyl]propan-2-amine
CID 105407334
1-[2-chloro-6-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine
CID 114321952
1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 61496605
1-[5-amino-2-[(2,6-dichlorophenyl)methoxy]phenyl]ethanone
CID 116541044

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[6-chloro-5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]propan-2-amine?
The IUPAC name of (2R)-1-[6-chloro-5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]propan-2-amine (CID 59077089) is (2R)-1-[6-chloro-5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]propan-2-amine.
What is the SMILES notation for (2R)-1-[6-chloro-5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]propan-2-amine?
The canonical SMILES for (2R)-1-[6-chloro-5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]propan-2-amine is C[C@@H](N)Cc1ccc(OCc2c(Cl)cccc2Cl)c(Cl)n1.
What is the InChIKey of (2R)-1-[6-chloro-5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]propan-2-amine?
The InChIKey is XGHHSIINYYMWSQ-SECBINFHSA-N. The full InChI is InChI=1S/C15H15Cl3N2O/c1-9(19)7-10-5-6-14(15(18)20-10)21-8-11-12(16)3-2-4-13(11)17/h2-6,9H,7-8,19H2,1H3/t9-/m1/s1.
What are the key properties of (2R)-1-[6-chloro-5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]propan-2-amine?
(2R)-1-[6-chloro-5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]propan-2-amine has a molecular weight of 345.66 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[6-chloro-5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]propan-2-amine is sourced from PubChem (CID 59077089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).