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

C16H18ClFN2O — CID 105391560

IUPACN-[[2-[(4-chlorophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccnc(OCc2ccc(Cl)cc2)c1F
InChIInChI=1S/C16H18ClFN2O/c1-11(2)20-9-13-7-8-19-16(15(13)18)21-10-12-3-5-14(17)6-4-12/h3-8,11,20H,9-10H2,1-2H3
InChIKeyUVAPCVMMPIHRFB-UHFFFAOYSA-N
MW308.78 g/mol
LogP3.95
Rot. Bonds6

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

N-[[2-[(4-chlorophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]propan-2-amine (PubChem CID 105391560) 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-2-amine.

Molecular Properties

Compound NameN-[[2-[(4-chlorophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]propan-2-amine
PubChem CID105391560
Molecular FormulaC16H18ClFN2O
Molecular Weight308.78 g/mol
Exact Mass308.11
IUPAC NameN-[[2-[(4-chlorophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccnc(OCc2ccc(Cl)cc2)c1F
InChIInChI=1S/C16H18ClFN2O/c1-11(2)20-9-13-7-8-19-16(15(13)18)21-10-12-3-5-14(17)6-4-12/h3-8,11,20H,9-10H2,1-2H3
InChIKeyUVAPCVMMPIHRFB-UHFFFAOYSA-N
XLogP3.95
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

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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-1-amine
CID 105391562
N-[(2-ethoxy-3-fluoro-4-pyridinyl)methyl]propan-2-amine
CID 105390794
N-[(3-fluoro-2-heptoxy-4-pyridinyl)methyl]propan-2-amine
CID 105390901
N-[[2-(3-chloro-2-fluorophenoxy)-3-fluoro-4-pyridinyl]methyl]propan-2-amine
CID 105391755
3-[[3-fluoro-4-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
CID 105391234
N-[[3-fluoro-2-(4-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 105391187
N-[[5-chloro-6-[(4-chlorophenyl)methoxy]-3-pyridinyl]methyl]propan-2-amine
CID 65125298
N-[[3-fluoro-2-(1-phenylethoxy)-4-pyridinyl]methyl]propan-2-amine
CID 105390852
N-[[3-fluoro-2-[2-(3-methoxypropoxy)ethoxy]-4-pyridinyl]methyl]propan-2-amine
CID 103180864
N,N-diethyl-3-fluoro-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 105388745
[2-[(3-chlorophenyl)methoxy]-3-fluoro-4-pyridinyl]methanamine
CID 105391554

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-chlorophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[(4-chlorophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]propan-2-amine (CID 105391560) is N-[[2-[(4-chlorophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[(4-chlorophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[(4-chlorophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]propan-2-amine is CC(C)NCc1ccnc(OCc2ccc(Cl)cc2)c1F.
What is the InChIKey of N-[[2-[(4-chlorophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]propan-2-amine?
The InChIKey is UVAPCVMMPIHRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN2O/c1-11(2)20-9-13-7-8-19-16(15(13)18)21-10-12-3-5-14(17)6-4-12/h3-8,11,20H,9-10H2,1-2H3.
What are the key properties of N-[[2-[(4-chlorophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]propan-2-amine?
N-[[2-[(4-chlorophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]propan-2-amine has a molecular weight of 308.78 g/mol, XLogP of 3.95, 6 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-2-amine is sourced from PubChem (CID 105391560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).