1-[2-[(5-chloro-3-pyridinyl)oxy]phenyl]-N-methylpropan-1-amine

C15H17ClN2O — CID 112678488

IUPAC1-[2-[(5-chloro-3-pyridinyl)oxy]phenyl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccccc1Oc1cncc(Cl)c1
InChIInChI=1S/C15H17ClN2O/c1-3-14(17-2)13-6-4-5-7-15(13)19-12-8-11(16)9-18-10-12/h4-10,14,17H,3H2,1-2H3
InChIKeyZVGGFSHLDWZMCI-UHFFFAOYSA-N
MW276.77 g/mol
LogP4.20
Rot. Bonds5

About 1-[2-[(5-chloro-3-pyridinyl)oxy]phenyl]-N-methylpropan-1-amine

1-[2-[(5-chloro-3-pyridinyl)oxy]phenyl]-N-methylpropan-1-amine (PubChem CID 112678488) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 1-[2-[(5-chloro-3-pyridinyl)oxy]phenyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-[2-[(5-chloro-3-pyridinyl)oxy]phenyl]-N-methylpropan-1-amine
PubChem CID112678488
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name1-[2-[(5-chloro-3-pyridinyl)oxy]phenyl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccccc1Oc1cncc(Cl)c1
InChIInChI=1S/C15H17ClN2O/c1-3-14(17-2)13-6-4-5-7-15(13)19-12-8-11(16)9-18-10-12/h4-10,14,17H,3H2,1-2H3
InChIKeyZVGGFSHLDWZMCI-UHFFFAOYSA-N
XLogP4.20
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3,5-dimethylphenoxy)phenyl]-N-methylpropan-1-amine
CID 115995554
(1R)-1-[2-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanamine
CID 78996800
1-[2-(3-methoxyphenoxy)phenyl]-N-methylpropan-1-amine
CID 115995535
1-[2-(4-bromo-3,5-dimethylphenoxy)phenyl]-N-methylpropan-1-amine
CID 107724832
N-methyl-1-[2-(4-propylphenoxy)phenyl]propan-1-amine
CID 115995677
1-[2-(4-bromo-3-methylphenoxy)phenyl]-N-methylpropan-1-amine
CID 115995748
N-[[2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]-2-methylpropan-1-amine
CID 64600243
1-[2-(2,4-dibromophenoxy)phenyl]-N-methylpropan-1-amine
CID 115995706
1-[2-[(2,5-dichlorophenyl)methoxy]phenyl]-N-methylpropan-1-amine
CID 65318748
2-[2-[(5-chloro-3-pyridinyl)oxy]phenyl]acetic acid
CID 21078394
N-[[2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine
CID 64600037
3-chloro-5-(2-chloro-4-methylphenoxy)pyridine
CID 143108341

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-chloro-3-pyridinyl)oxy]phenyl]-N-methylpropan-1-amine?
The IUPAC name of 1-[2-[(5-chloro-3-pyridinyl)oxy]phenyl]-N-methylpropan-1-amine (CID 112678488) is 1-[2-[(5-chloro-3-pyridinyl)oxy]phenyl]-N-methylpropan-1-amine.
What is the SMILES notation for 1-[2-[(5-chloro-3-pyridinyl)oxy]phenyl]-N-methylpropan-1-amine?
The canonical SMILES for 1-[2-[(5-chloro-3-pyridinyl)oxy]phenyl]-N-methylpropan-1-amine is CCC(NC)c1ccccc1Oc1cncc(Cl)c1.
What is the InChIKey of 1-[2-[(5-chloro-3-pyridinyl)oxy]phenyl]-N-methylpropan-1-amine?
The InChIKey is ZVGGFSHLDWZMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-3-14(17-2)13-6-4-5-7-15(13)19-12-8-11(16)9-18-10-12/h4-10,14,17H,3H2,1-2H3.
What are the key properties of 1-[2-[(5-chloro-3-pyridinyl)oxy]phenyl]-N-methylpropan-1-amine?
1-[2-[(5-chloro-3-pyridinyl)oxy]phenyl]-N-methylpropan-1-amine has a molecular weight of 276.77 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-chloro-3-pyridinyl)oxy]phenyl]-N-methylpropan-1-amine is sourced from PubChem (CID 112678488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).