N-[[5-[(2,5-dichlorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine

C16H18Cl2N2O — CID 79781870

IUPACN-[[5-[(2,5-dichlorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(OCc2cc(Cl)ccc2Cl)cn1
InChIInChI=1S/C16H18Cl2N2O/c1-11(2)19-8-14-4-5-15(9-20-14)21-10-12-7-13(17)3-6-16(12)18/h3-7,9,11,19H,8,10H2,1-2H3
InChIKeyMVWNOICEYFXLKA-UHFFFAOYSA-N
MW325.24 g/mol
LogP4.47
Rot. Bonds6

About N-[[5-[(2,5-dichlorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine

N-[[5-[(2,5-dichlorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine (PubChem CID 79781870) has the molecular formula C16H18Cl2N2O and a molecular weight of 325.24 g/mol. Its IUPAC name is N-[[5-[(2,5-dichlorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-[(2,5-dichlorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine
PubChem CID79781870
Molecular FormulaC16H18Cl2N2O
Molecular Weight325.24 g/mol
Exact Mass324.08
IUPAC NameN-[[5-[(2,5-dichlorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(OCc2cc(Cl)ccc2Cl)cn1
InChIInChI=1S/C16H18Cl2N2O/c1-11(2)19-8-14-4-5-15(9-20-14)21-10-12-7-13(17)3-6-16(12)18/h3-7,9,11,19H,8,10H2,1-2H3
InChIKeyMVWNOICEYFXLKA-UHFFFAOYSA-N
XLogP4.47
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.24
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-[(2,5-dichlorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[5-[(4-chloro-3-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine
CID 107879639
N-[[5-[(3-chloro-4-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine
CID 103037879
N-[[5-[(4-bromo-2-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine
CID 79781312
N-[[5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine
CID 79782732
N-[[5-[(5-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 103046448
1,4-dichloro-2-[(4-chlorophenoxy)methyl]benzene
CID 65317932
1-[5-[(5-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]propan-2-amine
CID 103049291
N-[[5-[(5-chloro-2-methoxyphenyl)methoxy]-2-pyridinyl]methyl]ethanamine
CID 79782260
N-[[5-[(3-methyl-1,2-oxazol-5-yl)methoxy]-2-pyridinyl]methyl]propan-2-amine
CID 79782711
N-[[5-(2,2-difluoroethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79782331
N-[[5-[(5-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine
CID 103046450
N-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79781711

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2,5-dichlorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[5-[(2,5-dichlorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine (CID 79781870) is N-[[5-[(2,5-dichlorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-[(2,5-dichlorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-[(2,5-dichlorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine is CC(C)NCc1ccc(OCc2cc(Cl)ccc2Cl)cn1.
What is the InChIKey of N-[[5-[(2,5-dichlorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine?
The InChIKey is MVWNOICEYFXLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2O/c1-11(2)19-8-14-4-5-15(9-20-14)21-10-12-7-13(17)3-6-16(12)18/h3-7,9,11,19H,8,10H2,1-2H3.
What are the key properties of N-[[5-[(2,5-dichlorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine?
N-[[5-[(2,5-dichlorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine has a molecular weight of 325.24 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2,5-dichlorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 79781870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).