N-[[5-chloro-2-(2-methylphenoxy)-4-pyridinyl]methyl]propan-1-amine

C16H19ClN2O — CID 114928202

IUPACN-[[5-chloro-2-(2-methylphenoxy)-4-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cc(Oc2ccccc2C)ncc1Cl
InChIInChI=1S/C16H19ClN2O/c1-3-8-18-10-13-9-16(19-11-14(13)17)20-15-7-5-4-6-12(15)2/h4-7,9,11,18H,3,8,10H2,1-2H3
InChIKeyKPFFKLLSJHWUIU-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.34
Rot. Bonds6

About N-[[5-chloro-2-(2-methylphenoxy)-4-pyridinyl]methyl]propan-1-amine

N-[[5-chloro-2-(2-methylphenoxy)-4-pyridinyl]methyl]propan-1-amine (PubChem CID 114928202) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is N-[[5-chloro-2-(2-methylphenoxy)-4-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-chloro-2-(2-methylphenoxy)-4-pyridinyl]methyl]propan-1-amine
PubChem CID114928202
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC NameN-[[5-chloro-2-(2-methylphenoxy)-4-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cc(Oc2ccccc2C)ncc1Cl
InChIInChI=1S/C16H19ClN2O/c1-3-8-18-10-13-9-16(19-11-14(13)17)20-15-7-5-4-6-12(15)2/h4-7,9,11,18H,3,8,10H2,1-2H3
InChIKeyKPFFKLLSJHWUIU-UHFFFAOYSA-N
XLogP4.34
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 ≤ 54.34
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-[[5-chloro-2-(2-fluorophenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 114928120
N-[[5-chloro-2-(2-chloro-5-methylphenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 114928457
N-[[5-chloro-2-(2,5-dimethylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 114928165
1-[5-chloro-2-(2,3-dimethylphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 114928078
N-[(5-chloro-2-propan-2-yloxy-4-pyridinyl)methyl]propan-1-amine
CID 114927711
1-[5-chloro-2-(2-ethylphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 114928464
N-[[5-chloro-2-(2-fluoro-5-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 114928781
N-[[2-(2-butoxyethoxy)-5-chloro-4-pyridinyl]methyl]propan-1-amine
CID 114927751
N-[[5-chloro-2-(2-methoxy-4-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 114927929
N-[[2-(4-chloro-2-methylphenoxy)phenyl]methyl]propan-1-amine
CID 43283414
N-[[5-chloro-2-(3-methoxyphenoxy)-4-pyridinyl]methyl]ethanamine
CID 114928088
N-[(5-chloro-2-pent-4-enoxy-4-pyridinyl)methyl]propan-1-amine
CID 114928877

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(2-methylphenoxy)-4-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[5-chloro-2-(2-methylphenoxy)-4-pyridinyl]methyl]propan-1-amine (CID 114928202) is N-[[5-chloro-2-(2-methylphenoxy)-4-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-chloro-2-(2-methylphenoxy)-4-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-chloro-2-(2-methylphenoxy)-4-pyridinyl]methyl]propan-1-amine is CCCNCc1cc(Oc2ccccc2C)ncc1Cl.
What is the InChIKey of N-[[5-chloro-2-(2-methylphenoxy)-4-pyridinyl]methyl]propan-1-amine?
The InChIKey is KPFFKLLSJHWUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-3-8-18-10-13-9-16(19-11-14(13)17)20-15-7-5-4-6-12(15)2/h4-7,9,11,18H,3,8,10H2,1-2H3.
What are the key properties of N-[[5-chloro-2-(2-methylphenoxy)-4-pyridinyl]methyl]propan-1-amine?
N-[[5-chloro-2-(2-methylphenoxy)-4-pyridinyl]methyl]propan-1-amine has a molecular weight of 290.79 g/mol, XLogP of 4.34, 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-(2-methylphenoxy)-4-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 114928202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).