N-[[2-[(4-chlorophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]propan-1-amine

C16H18ClFN2O — CID 105391562

IUPACN-[[2-[(4-chlorophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccnc(OCc2ccc(Cl)cc2)c1F
InChIInChI=1S/C16H18ClFN2O/c1-2-8-19-10-13-7-9-20-16(15(13)18)21-11-12-3-5-14(17)6-4-12/h3-7,9,19H,2,8,10-11H2,1H3
InChIKeyNDSAZBXHIYLZMN-UHFFFAOYSA-N
MW308.78 g/mol
LogP3.95
Rot. Bonds7

About N-[[2-[(4-chlorophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]propan-1-amine

N-[[2-[(4-chlorophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]propan-1-amine (PubChem CID 105391562) has the molecular formula C16H18ClFN2O and a molecular weight of 308.78 g/mol. Its IUPAC name is N-[[2-[(4-chlorophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-[(4-chlorophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]propan-1-amine
PubChem CID105391562
Molecular FormulaC16H18ClFN2O
Molecular Weight308.78 g/mol
Exact Mass308.11
IUPAC NameN-[[2-[(4-chlorophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccnc(OCc2ccc(Cl)cc2)c1F
InChIInChI=1S/C16H18ClFN2O/c1-2-8-19-10-13-7-9-20-16(15(13)18)21-11-12-3-5-14(17)6-4-12/h3-7,9,19H,2,8,10-11H2,1H3
InChIKeyNDSAZBXHIYLZMN-UHFFFAOYSA-N
XLogP3.95
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.78
LogP ≤ 53.95
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-[[2-[(4-chlorophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]ethanamine
CID 105391563
N-[[2-[(4-chlorophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]propan-2-amine
CID 105391560
N-[[2-(2-ethoxyethoxy)-3-fluoro-4-pyridinyl]methyl]propan-1-amine
CID 105390809
N-[[3-fluoro-2-(2-propoxyethoxy)-4-pyridinyl]methyl]propan-1-amine
CID 105391480
N-[[3-fluoro-2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methyl]propan-1-amine
CID 105390919
N-[[2-(3-chloro-2-fluorophenoxy)-3-fluoro-4-pyridinyl]methyl]propan-1-amine
CID 105391757
N-[[3-fluoro-2-[2-(2-methoxyethoxy)ethoxy]-4-pyridinyl]methyl]propan-1-amine
CID 105391746
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 4716575
N-[[4-[(4-chlorophenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 65125344
N-[[3-fluoro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methyl]propan-1-amine
CID 106597720
N-[[3-fluoro-2-[(1-methylpiperidin-2-yl)methoxy]-4-pyridinyl]methyl]propan-1-amine
CID 105391574
N-[[3-fluoro-2-(2-methylcyclohexyl)oxy-4-pyridinyl]methyl]propan-1-amine
CID 105390827

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-chlorophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-[(4-chlorophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]propan-1-amine (CID 105391562) is N-[[2-[(4-chlorophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-[(4-chlorophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-[(4-chlorophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]propan-1-amine is CCCNCc1ccnc(OCc2ccc(Cl)cc2)c1F.
What is the InChIKey of N-[[2-[(4-chlorophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]propan-1-amine?
The InChIKey is NDSAZBXHIYLZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN2O/c1-2-8-19-10-13-7-9-20-16(15(13)18)21-11-12-3-5-14(17)6-4-12/h3-7,9,19H,2,8,10-11H2,1H3.
What are the key properties of N-[[2-[(4-chlorophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]propan-1-amine?
N-[[2-[(4-chlorophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]propan-1-amine has a molecular weight of 308.78 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-chlorophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 105391562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).