N-[[2-chloro-6-[(3-chloro-4-pyridinyl)methoxy]phenyl]methyl]propan-2-amine

C16H18Cl2N2O — CID 114319763

IUPACN-[[2-chloro-6-[(3-chloro-4-pyridinyl)methoxy]phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1c(Cl)cccc1OCc1ccncc1Cl
InChIInChI=1S/C16H18Cl2N2O/c1-11(2)20-8-13-14(17)4-3-5-16(13)21-10-12-6-7-19-9-15(12)18/h3-7,9,11,20H,8,10H2,1-2H3
InChIKeyDGHRCWFRULIIAP-UHFFFAOYSA-N
MW325.24 g/mol
LogP4.47
Rot. Bonds6

About N-[[2-chloro-6-[(3-chloro-4-pyridinyl)methoxy]phenyl]methyl]propan-2-amine

N-[[2-chloro-6-[(3-chloro-4-pyridinyl)methoxy]phenyl]methyl]propan-2-amine (PubChem CID 114319763) has the molecular formula C16H18Cl2N2O and a molecular weight of 325.24 g/mol. Its IUPAC name is N-[[2-chloro-6-[(3-chloro-4-pyridinyl)methoxy]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-chloro-6-[(3-chloro-4-pyridinyl)methoxy]phenyl]methyl]propan-2-amine
PubChem CID114319763
Molecular FormulaC16H18Cl2N2O
Molecular Weight325.24 g/mol
Exact Mass324.08
IUPAC NameN-[[2-chloro-6-[(3-chloro-4-pyridinyl)methoxy]phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1c(Cl)cccc1OCc1ccncc1Cl
InChIInChI=1S/C16H18Cl2N2O/c1-11(2)20-8-13-14(17)4-3-5-16(13)21-10-12-6-7-19-9-15(12)18/h3-7,9,11,20H,8,10H2,1-2H3
InChIKeyDGHRCWFRULIIAP-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

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Related Compounds

N-[[2-chloro-6-[(3-chloro-4-pyridinyl)methoxy]phenyl]methyl]ethanamine
CID 114319172
N-[[2-[(5-bromo-3-pyridinyl)methoxy]-6-chlorophenyl]methyl]propan-2-amine
CID 104796439
N-[[3-(2,3-dichlorophenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 105075167
N-[[2-[(3-bromophenyl)methoxy]-6-chlorophenyl]methyl]propan-2-amine
CID 114319725
N-[[2-chloro-6-(pyridin-3-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 114319988
N-[[2-chloro-6-(ethoxymethoxy)phenyl]methyl]propan-2-amine
CID 113276725
N-[[2-chloro-6-[2-(3-methylbutoxy)ethoxy]phenyl]methyl]propan-2-amine
CID 114319708
N-[[2-chloro-6-[2-(dimethylamino)ethoxy]phenyl]methyl]propan-2-amine
CID 114319605
2-chloro-6-[(3-chloro-4-pyridinyl)methoxy]benzoic acid
CID 113276788
N-[(2-but-3-enoxy-6-chlorophenyl)methyl]propan-2-amine
CID 113276717
N-[[2-chloro-6-(4-chlorophenoxy)phenyl]methyl]propan-2-amine
CID 43282977
1-[[3-chloro-2-[(propan-2-ylamino)methyl]phenoxy]methyl]cyclohexan-1-ol
CID 114319761

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-6-[(3-chloro-4-pyridinyl)methoxy]phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-chloro-6-[(3-chloro-4-pyridinyl)methoxy]phenyl]methyl]propan-2-amine (CID 114319763) is N-[[2-chloro-6-[(3-chloro-4-pyridinyl)methoxy]phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-chloro-6-[(3-chloro-4-pyridinyl)methoxy]phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-chloro-6-[(3-chloro-4-pyridinyl)methoxy]phenyl]methyl]propan-2-amine is CC(C)NCc1c(Cl)cccc1OCc1ccncc1Cl.
What is the InChIKey of N-[[2-chloro-6-[(3-chloro-4-pyridinyl)methoxy]phenyl]methyl]propan-2-amine?
The InChIKey is DGHRCWFRULIIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2O/c1-11(2)20-8-13-14(17)4-3-5-16(13)21-10-12-6-7-19-9-15(12)18/h3-7,9,11,20H,8,10H2,1-2H3.
What are the key properties of N-[[2-chloro-6-[(3-chloro-4-pyridinyl)methoxy]phenyl]methyl]propan-2-amine?
N-[[2-chloro-6-[(3-chloro-4-pyridinyl)methoxy]phenyl]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-[[2-chloro-6-[(3-chloro-4-pyridinyl)methoxy]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 114319763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).