N-[[4-[(4-chlorophenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine

C16H19ClN2O — CID 65125344

IUPACN-[[4-[(4-chlorophenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cc(OCc2ccc(Cl)cc2)ccn1
InChIInChI=1S/C16H19ClN2O/c1-2-8-18-11-15-10-16(7-9-19-15)20-12-13-3-5-14(17)6-4-13/h3-7,9-10,18H,2,8,11-12H2,1H3
InChIKeyPALODTYWQVTXFX-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.81
Rot. Bonds7

About N-[[4-[(4-chlorophenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine

N-[[4-[(4-chlorophenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine (PubChem CID 65125344) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is N-[[4-[(4-chlorophenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-[(4-chlorophenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine
PubChem CID65125344
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC NameN-[[4-[(4-chlorophenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cc(OCc2ccc(Cl)cc2)ccn1
InChIInChI=1S/C16H19ClN2O/c1-2-8-18-11-15-10-16(7-9-19-15)20-12-13-3-5-14(17)6-4-13/h3-7,9-10,18H,2,8,11-12H2,1H3
InChIKeyPALODTYWQVTXFX-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-[(4-methoxy-2-pyridinyl)methyl]propan-1-amine
CID 62291375
N-[[4-(3-methoxypropoxy)-2-pyridinyl]methyl]propan-1-amine
CID 62288945
N-[[4-(4-chloro-3-methylphenoxy)-2-pyridinyl]methyl]propan-1-amine
CID 62297574
N-[[4-(2-propan-2-yloxyethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 55058387
N-[[4-[3-(methoxymethyl)phenoxy]-2-pyridinyl]methyl]propan-1-amine
CID 63984828
N-[[2-[(4-chlorophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]propan-1-amine
CID 105391562
N-[(4-butan-2-yloxy-2-pyridinyl)methyl]propan-1-amine
CID 62295954
N-[[5-[(3,4-dichlorophenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 79781676
1-[4-[(3-chlorophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine
CID 65125148
N-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]propan-1-amine
CID 23397058
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 4716575
N-[[4-[(2-chlorophenyl)methoxy]-2-pyridinyl]methyl]ethanamine
CID 62290868

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-chlorophenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-[(4-chlorophenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine (CID 65125344) is N-[[4-[(4-chlorophenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-[(4-chlorophenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-[(4-chlorophenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine is CCCNCc1cc(OCc2ccc(Cl)cc2)ccn1.
What is the InChIKey of N-[[4-[(4-chlorophenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine?
The InChIKey is PALODTYWQVTXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-2-8-18-11-15-10-16(7-9-19-15)20-12-13-3-5-14(17)6-4-13/h3-7,9-10,18H,2,8,11-12H2,1H3.
What are the key properties of N-[[4-[(4-chlorophenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine?
N-[[4-[(4-chlorophenyl)methoxy]-2-pyridinyl]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-[[4-[(4-chlorophenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 65125344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).