N-[[4-(3-chlorophenoxy)-3-pyridinyl]methyl]propan-1-amine

C15H17ClN2O — CID 81251291

IUPACN-[[4-(3-chlorophenoxy)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cnccc1Oc1cccc(Cl)c1
InChIInChI=1S/C15H17ClN2O/c1-2-7-17-10-12-11-18-8-6-15(12)19-14-5-3-4-13(16)9-14/h3-6,8-9,11,17H,2,7,10H2,1H3
InChIKeyJROWVJKLKIQIMV-UHFFFAOYSA-N
MW276.77 g/mol
LogP4.03
Rot. Bonds6

About N-[[4-(3-chlorophenoxy)-3-pyridinyl]methyl]propan-1-amine

N-[[4-(3-chlorophenoxy)-3-pyridinyl]methyl]propan-1-amine (PubChem CID 81251291) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is N-[[4-(3-chlorophenoxy)-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-(3-chlorophenoxy)-3-pyridinyl]methyl]propan-1-amine
PubChem CID81251291
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC NameN-[[4-(3-chlorophenoxy)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cnccc1Oc1cccc(Cl)c1
InChIInChI=1S/C15H17ClN2O/c1-2-7-17-10-12-11-18-8-6-15(12)19-14-5-3-4-13(16)9-14/h3-6,8-9,11,17H,2,7,10H2,1H3
InChIKeyJROWVJKLKIQIMV-UHFFFAOYSA-N
XLogP4.03
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 54.03
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-[[4-[(5-chloro-3-pyridinyl)oxy]-3-pyridinyl]methyl]propan-1-amine
CID 81250184
N-[[4-(3,4-dimethylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81251065
N-[[4-(4-chloro-2,6-dimethylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81253689
N-[[4-bromo-2-(3-chlorophenoxy)phenyl]methyl]propan-1-amine
CID 43283242
N-[[4-(4-propylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81253728
N-[(4-ethoxy-3-pyridinyl)methyl]propan-1-amine
CID 81253184
N-[[4-(2,3-difluorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81250606
N-[[4-(3-bromo-5-fluorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81326386
N-[[3-(3-chlorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105075399
N-[[4-(4-chloro-3-ethylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 81250523
N-[[3-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 105075308
N-[[4-(3-ethoxyphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 81253545

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-chlorophenoxy)-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-(3-chlorophenoxy)-3-pyridinyl]methyl]propan-1-amine (CID 81251291) is N-[[4-(3-chlorophenoxy)-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-(3-chlorophenoxy)-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-(3-chlorophenoxy)-3-pyridinyl]methyl]propan-1-amine is CCCNCc1cnccc1Oc1cccc(Cl)c1.
What is the InChIKey of N-[[4-(3-chlorophenoxy)-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is JROWVJKLKIQIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-2-7-17-10-12-11-18-8-6-15(12)19-14-5-3-4-13(16)9-14/h3-6,8-9,11,17H,2,7,10H2,1H3.
What are the key properties of N-[[4-(3-chlorophenoxy)-3-pyridinyl]methyl]propan-1-amine?
N-[[4-(3-chlorophenoxy)-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 276.77 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-chlorophenoxy)-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 81251291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).