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

C18H24N2O — CID 81253728

IUPACN-[[4-(4-propylphenoxy)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cnccc1Oc1ccc(CCC)cc1
InChIInChI=1S/C18H24N2O/c1-3-5-15-6-8-17(9-7-15)21-18-10-12-20-14-16(18)13-19-11-4-2/h6-10,12,14,19H,3-5,11,13H2,1-2H3
InChIKeyBWXSYGNQRHCYTP-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.33
Rot. Bonds8

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

N-[[4-(4-propylphenoxy)-3-pyridinyl]methyl]propan-1-amine (PubChem CID 81253728) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[[4-(4-propylphenoxy)-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-(4-propylphenoxy)-3-pyridinyl]methyl]propan-1-amine
PubChem CID81253728
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[[4-(4-propylphenoxy)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cnccc1Oc1ccc(CCC)cc1
InChIInChI=1S/C18H24N2O/c1-3-5-15-6-8-17(9-7-15)21-18-10-12-20-14-16(18)13-19-11-4-2/h6-10,12,14,19H,3-5,11,13H2,1-2H3
InChIKeyBWXSYGNQRHCYTP-UHFFFAOYSA-N
XLogP4.33
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.33
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-(3,4-dimethylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81251065
N-[[4-(3-chlorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81251291
N-[[4-[(5-chloro-3-pyridinyl)oxy]-3-pyridinyl]methyl]propan-1-amine
CID 81250184
N-[(4-ethoxy-3-pyridinyl)methyl]propan-1-amine
CID 81253184
N-[[4-(3-bromo-5-fluorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81326386
N-[[4-(4-chloro-2,6-dimethylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81253689
N-[[4-(2,3-difluorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81250606
N-[[6-(4-propylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62548588
N-[[3-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 105075308
N-[[4-(4-chloro-3-ethylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 81250523
[4-(4-ethylphenoxy)-3-pyridinyl]methanamine
CID 81250347
N-[[4-(1-methylpyrazol-4-yl)oxy-3-pyridinyl]methyl]ethanamine
CID 116793323

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-propylphenoxy)-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-(4-propylphenoxy)-3-pyridinyl]methyl]propan-1-amine (CID 81253728) is N-[[4-(4-propylphenoxy)-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-(4-propylphenoxy)-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-(4-propylphenoxy)-3-pyridinyl]methyl]propan-1-amine is CCCNCc1cnccc1Oc1ccc(CCC)cc1.
What is the InChIKey of N-[[4-(4-propylphenoxy)-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is BWXSYGNQRHCYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-3-5-15-6-8-17(9-7-15)21-18-10-12-20-14-16(18)13-19-11-4-2/h6-10,12,14,19H,3-5,11,13H2,1-2H3.
What are the key properties of N-[[4-(4-propylphenoxy)-3-pyridinyl]methyl]propan-1-amine?
N-[[4-(4-propylphenoxy)-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 284.40 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-propylphenoxy)-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 81253728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).