N-[[5-chloro-2-(2-methoxyphenoxy)-4-pyridinyl]methyl]propan-2-amine

C16H19ClN2O2 — CID 114928315

IUPACN-[[5-chloro-2-(2-methoxyphenoxy)-4-pyridinyl]methyl]propan-2-amine
SMILESCOc1ccccc1Oc1cc(CNC(C)C)c(Cl)cn1
InChIInChI=1S/C16H19ClN2O2/c1-11(2)18-9-12-8-16(19-10-13(12)17)21-15-7-5-4-6-14(15)20-3/h4-8,10-11,18H,9H2,1-3H3
InChIKeyAPPPYZRCMOIDQQ-UHFFFAOYSA-N
MW306.79 g/mol
LogP4.03
Rot. Bonds6

About N-[[5-chloro-2-(2-methoxyphenoxy)-4-pyridinyl]methyl]propan-2-amine

N-[[5-chloro-2-(2-methoxyphenoxy)-4-pyridinyl]methyl]propan-2-amine (PubChem CID 114928315) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is N-[[5-chloro-2-(2-methoxyphenoxy)-4-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-chloro-2-(2-methoxyphenoxy)-4-pyridinyl]methyl]propan-2-amine
PubChem CID114928315
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC NameN-[[5-chloro-2-(2-methoxyphenoxy)-4-pyridinyl]methyl]propan-2-amine
SMILESCOc1ccccc1Oc1cc(CNC(C)C)c(Cl)cn1
InChIInChI=1S/C16H19ClN2O2/c1-11(2)18-9-12-8-16(19-10-13(12)17)21-15-7-5-4-6-14(15)20-3/h4-8,10-11,18H,9H2,1-3H3
InChIKeyAPPPYZRCMOIDQQ-UHFFFAOYSA-N
XLogP4.03
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-chloro-2-[(2-methyl-3-pyridinyl)oxy]-4-pyridinyl]methyl]propan-2-amine
CID 114928898
N-[[2-(2-bromo-4-fluorophenoxy)-5-chloro-4-pyridinyl]methyl]propan-2-amine
CID 114928025
N-[(5-chloro-2-phenylmethoxy-4-pyridinyl)methyl]propan-2-amine
CID 114927584
N-[[5-chloro-2-(3,5-dichlorophenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 114928496
N-[[5-chloro-2-(3-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 114928325
N-[(2-butoxy-5-chloro-4-pyridinyl)methyl]propan-2-amine
CID 114927879
1-[5-chloro-2-(2-ethylphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 114928464
N-[[2-[(5-bromo-3-pyridinyl)oxy]-5-chloro-4-pyridinyl]methyl]propan-2-amine
CID 114928733
N-[[2-(4-bromo-3-fluorophenoxy)-5-chloro-4-pyridinyl]methyl]propan-2-amine
CID 114928803
N-[[5-chloro-2-(2-methoxy-4-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 114927929
N-[(2-methoxyphenyl)methyl]propan-2-amine
CID 11458027
N-[[4-bromo-2-(2-methoxyphenoxy)phenyl]methyl]propan-2-amine
CID 43283291

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(2-methoxyphenoxy)-4-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[5-chloro-2-(2-methoxyphenoxy)-4-pyridinyl]methyl]propan-2-amine (CID 114928315) is N-[[5-chloro-2-(2-methoxyphenoxy)-4-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-chloro-2-(2-methoxyphenoxy)-4-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-chloro-2-(2-methoxyphenoxy)-4-pyridinyl]methyl]propan-2-amine is COc1ccccc1Oc1cc(CNC(C)C)c(Cl)cn1.
What is the InChIKey of N-[[5-chloro-2-(2-methoxyphenoxy)-4-pyridinyl]methyl]propan-2-amine?
The InChIKey is APPPYZRCMOIDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c1-11(2)18-9-12-8-16(19-10-13(12)17)21-15-7-5-4-6-14(15)20-3/h4-8,10-11,18H,9H2,1-3H3.
What are the key properties of N-[[5-chloro-2-(2-methoxyphenoxy)-4-pyridinyl]methyl]propan-2-amine?
N-[[5-chloro-2-(2-methoxyphenoxy)-4-pyridinyl]methyl]propan-2-amine has a molecular weight of 306.79 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(2-methoxyphenoxy)-4-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 114928315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).