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

C16H19ClN2O — CID 114927584

IUPACN-[(5-chloro-2-phenylmethoxy-4-pyridinyl)methyl]propan-2-amine
SMILESCC(C)NCc1cc(OCc2ccccc2)ncc1Cl
InChIInChI=1S/C16H19ClN2O/c1-12(2)18-9-14-8-16(19-10-15(14)17)20-11-13-6-4-3-5-7-13/h3-8,10,12,18H,9,11H2,1-2H3
InChIKeyJOPKPNBIXFPAQC-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.81
Rot. Bonds6

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

N-[(5-chloro-2-phenylmethoxy-4-pyridinyl)methyl]propan-2-amine (PubChem CID 114927584) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is N-[(5-chloro-2-phenylmethoxy-4-pyridinyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(5-chloro-2-phenylmethoxy-4-pyridinyl)methyl]propan-2-amine
PubChem CID114927584
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC NameN-[(5-chloro-2-phenylmethoxy-4-pyridinyl)methyl]propan-2-amine
SMILESCC(C)NCc1cc(OCc2ccccc2)ncc1Cl
InChIInChI=1S/C16H19ClN2O/c1-12(2)18-9-14-8-16(19-10-15(14)17)20-11-13-6-4-3-5-7-13/h3-8,10,12,18H,9,11H2,1-2H3
InChIKeyJOPKPNBIXFPAQC-UHFFFAOYSA-N
XLogP3.81
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-chloro-2-(2-methoxyphenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 114928315
N-[(2-butoxy-5-chloro-4-pyridinyl)methyl]propan-2-amine
CID 114927879
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-[[5-chloro-2-[(2-methyl-3-pyridinyl)oxy]-4-pyridinyl]methyl]propan-2-amine
CID 114928898
1-[5-chloro-2-[(2-chlorophenyl)methoxy]-4-pyridinyl]-N-methylmethanamine
CID 114927670
N-[[5-chloro-2-(2-piperidin-1-ylethoxy)-4-pyridinyl]methyl]propan-2-amine
CID 114928249
5-chloro-N-ethyl-N-phenyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 114925172
N-[(5-chloro-2-phenoxy-4-pyridinyl)methyl]-2-methylpropan-1-amine
CID 114928222
N-[[2-(2-bromo-4-fluorophenoxy)-5-chloro-4-pyridinyl]methyl]propan-2-amine
CID 114928025
N-[[2-(4-bromo-3-fluorophenoxy)-5-chloro-4-pyridinyl]methyl]propan-2-amine
CID 114928803
N-[[2-[(5-bromo-3-pyridinyl)oxy]-5-chloro-4-pyridinyl]methyl]propan-2-amine
CID 114928733

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-phenylmethoxy-4-pyridinyl)methyl]propan-2-amine?
The IUPAC name of N-[(5-chloro-2-phenylmethoxy-4-pyridinyl)methyl]propan-2-amine (CID 114927584) is N-[(5-chloro-2-phenylmethoxy-4-pyridinyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(5-chloro-2-phenylmethoxy-4-pyridinyl)methyl]propan-2-amine?
The canonical SMILES for N-[(5-chloro-2-phenylmethoxy-4-pyridinyl)methyl]propan-2-amine is CC(C)NCc1cc(OCc2ccccc2)ncc1Cl.
What is the InChIKey of N-[(5-chloro-2-phenylmethoxy-4-pyridinyl)methyl]propan-2-amine?
The InChIKey is JOPKPNBIXFPAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-12(2)18-9-14-8-16(19-10-15(14)17)20-11-13-6-4-3-5-7-13/h3-8,10,12,18H,9,11H2,1-2H3.
What are the key properties of N-[(5-chloro-2-phenylmethoxy-4-pyridinyl)methyl]propan-2-amine?
N-[(5-chloro-2-phenylmethoxy-4-pyridinyl)methyl]propan-2-amine has a molecular weight of 290.79 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-phenylmethoxy-4-pyridinyl)methyl]propan-2-amine is sourced from PubChem (CID 114927584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).