1-(4-pentoxyphenyl)-N-(pyridin-4-ylmethyl)methanamine

C18H24N2O — CID 28670478

IUPAC1-(4-pentoxyphenyl)-N-(pyridin-4-ylmethyl)methanamine
SMILESCCCCCOc1ccc(CNCc2ccncc2)cc1
InChIInChI=1S/C18H24N2O/c1-2-3-4-13-21-18-7-5-16(6-8-18)14-20-15-17-9-11-19-12-10-17/h5-12,20H,2-4,13-15H2,1H3
InChIKeyXKKXBEPBZJFWFS-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.94
Rot. Bonds9

About 1-(4-pentoxyphenyl)-N-(pyridin-4-ylmethyl)methanamine

1-(4-pentoxyphenyl)-N-(pyridin-4-ylmethyl)methanamine (PubChem CID 28670478) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-(4-pentoxyphenyl)-N-(pyridin-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(4-pentoxyphenyl)-N-(pyridin-4-ylmethyl)methanamine
PubChem CID28670478
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name1-(4-pentoxyphenyl)-N-(pyridin-4-ylmethyl)methanamine
SMILESCCCCCOc1ccc(CNCc2ccncc2)cc1
InChIInChI=1S/C18H24N2O/c1-2-3-4-13-21-18-7-5-16(6-8-18)14-20-15-17-9-11-19-12-10-17/h5-12,20H,2-4,13-15H2,1H3
InChIKeyXKKXBEPBZJFWFS-UHFFFAOYSA-N
XLogP3.94
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.94
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

4-pentoxypyridine
CID 23560340
N-[(4-hexoxyphenyl)methyl]hexan-1-amine
CID 54807832
N'-[(4-pentoxyphenyl)methyl]ethane-1,2-diamine
CID 60887585
N-[(4-pentoxyphenyl)methyl]prop-2-yn-1-amine
CID 29049488
3-(4-methylphenoxy)-N-(pyridin-4-ylmethyl)propan-1-amine
CID 82097706
N-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]propan-1-amine
CID 23397058
2-methyl-N-[(4-octoxyphenyl)methyl]propan-1-amine
CID 60657431
N-[(4-hexoxyphenyl)methyl]-2,2-dimethylpropan-1-amine
CID 54805408
2-[(4-octoxyphenyl)methylamino]acetaldehyde
CID 170224550
(1S)-N-[(4-butoxyphenyl)methyl]-1-pyridin-4-ylethanamine
CID 28644901
1-(4-butoxyphenyl)-N-(1H-pyrazol-5-ylmethyl)methanamine
CID 61284679
N-[(1-methylpyrazol-3-yl)methyl]-1-(4-pentoxyphenyl)methanamine
CID 82872963

Frequently Asked Questions

What is the IUPAC name of 1-(4-pentoxyphenyl)-N-(pyridin-4-ylmethyl)methanamine?
The IUPAC name of 1-(4-pentoxyphenyl)-N-(pyridin-4-ylmethyl)methanamine (CID 28670478) is 1-(4-pentoxyphenyl)-N-(pyridin-4-ylmethyl)methanamine.
What is the SMILES notation for 1-(4-pentoxyphenyl)-N-(pyridin-4-ylmethyl)methanamine?
The canonical SMILES for 1-(4-pentoxyphenyl)-N-(pyridin-4-ylmethyl)methanamine is CCCCCOc1ccc(CNCc2ccncc2)cc1.
What is the InChIKey of 1-(4-pentoxyphenyl)-N-(pyridin-4-ylmethyl)methanamine?
The InChIKey is XKKXBEPBZJFWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-2-3-4-13-21-18-7-5-16(6-8-18)14-20-15-17-9-11-19-12-10-17/h5-12,20H,2-4,13-15H2,1H3.
What are the key properties of 1-(4-pentoxyphenyl)-N-(pyridin-4-ylmethyl)methanamine?
1-(4-pentoxyphenyl)-N-(pyridin-4-ylmethyl)methanamine has a molecular weight of 284.40 g/mol, XLogP of 3.94, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pentoxyphenyl)-N-(pyridin-4-ylmethyl)methanamine is sourced from PubChem (CID 28670478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).