N-[[2-chloro-6-(pyridin-3-ylmethoxy)phenyl]methyl]propan-1-amine

C16H19ClN2O — CID 114319478

IUPACN-[[2-chloro-6-(pyridin-3-ylmethoxy)phenyl]methyl]propan-1-amine
SMILESCCCNCc1c(Cl)cccc1OCc1cccnc1
InChIInChI=1S/C16H19ClN2O/c1-2-8-18-11-14-15(17)6-3-7-16(14)20-12-13-5-4-9-19-10-13/h3-7,9-10,18H,2,8,11-12H2,1H3
InChIKeyOWGZYGUELBANNW-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.81
Rot. Bonds7

About N-[[2-chloro-6-(pyridin-3-ylmethoxy)phenyl]methyl]propan-1-amine

N-[[2-chloro-6-(pyridin-3-ylmethoxy)phenyl]methyl]propan-1-amine (PubChem CID 114319478) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is N-[[2-chloro-6-(pyridin-3-ylmethoxy)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-chloro-6-(pyridin-3-ylmethoxy)phenyl]methyl]propan-1-amine
PubChem CID114319478
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC NameN-[[2-chloro-6-(pyridin-3-ylmethoxy)phenyl]methyl]propan-1-amine
SMILESCCCNCc1c(Cl)cccc1OCc1cccnc1
InChIInChI=1S/C16H19ClN2O/c1-2-8-18-11-14-15(17)6-3-7-16(14)20-12-13-5-4-9-19-10-13/h3-7,9-10,18H,2,8,11-12H2,1H3
InChIKeyOWGZYGUELBANNW-UHFFFAOYSA-N
XLogP3.81
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-chloro-6-(pyridin-3-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 114319988
N-[(2-chloro-6-pyridin-3-yloxyphenyl)methyl]propan-1-amine
CID 43283704
N-[[2-chloro-6-[(4-methylphenyl)methoxy]phenyl]methyl]propan-1-amine
CID 114319406
N-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 43275372
3-chloro-N-methyl-2-(propylaminomethyl)-N-(pyridin-3-ylmethyl)aniline
CID 43563633
N-[[2-chloro-6-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-1-amine
CID 114319395
N-[[2-chloro-6-[(3-chloro-4-pyridinyl)methoxy]phenyl]methyl]ethanamine
CID 114319172
N-[(2-chloro-6-octoxyphenyl)methyl]propan-1-amine
CID 114319420
N-[(2,6-dichlorophenyl)methyl]-1-pyridin-3-ylmethanamine chloride
CID 21233303
N-[[5-bromo-2-(pyridin-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 18778240
N-[[2-chloro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]propan-1-amine
CID 114319554
N-[[2-chloro-6-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]methyl]propan-1-amine
CID 106437071

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-6-(pyridin-3-ylmethoxy)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-chloro-6-(pyridin-3-ylmethoxy)phenyl]methyl]propan-1-amine (CID 114319478) is N-[[2-chloro-6-(pyridin-3-ylmethoxy)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-chloro-6-(pyridin-3-ylmethoxy)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-chloro-6-(pyridin-3-ylmethoxy)phenyl]methyl]propan-1-amine is CCCNCc1c(Cl)cccc1OCc1cccnc1.
What is the InChIKey of N-[[2-chloro-6-(pyridin-3-ylmethoxy)phenyl]methyl]propan-1-amine?
The InChIKey is OWGZYGUELBANNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-2-8-18-11-14-15(17)6-3-7-16(14)20-12-13-5-4-9-19-10-13/h3-7,9-10,18H,2,8,11-12H2,1H3.
What are the key properties of N-[[2-chloro-6-(pyridin-3-ylmethoxy)phenyl]methyl]propan-1-amine?
N-[[2-chloro-6-(pyridin-3-ylmethoxy)phenyl]methyl]propan-1-amine has a molecular weight of 290.79 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-6-(pyridin-3-ylmethoxy)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 114319478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).