N-[[5-[(4-chloro-3-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine

C16H18ClFN2O — CID 107879639

IUPACN-[[5-[(4-chloro-3-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(OCc2ccc(Cl)c(F)c2)cn1
InChIInChI=1S/C16H18ClFN2O/c1-11(2)19-8-13-4-5-14(9-20-13)21-10-12-3-6-15(17)16(18)7-12/h3-7,9,11,19H,8,10H2,1-2H3
InChIKeyYTEJEOCKYYAWGA-UHFFFAOYSA-N
MW308.78 g/mol
LogP3.95
Rot. Bonds6

About N-[[5-[(4-chloro-3-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine

N-[[5-[(4-chloro-3-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine (PubChem CID 107879639) has the molecular formula C16H18ClFN2O and a molecular weight of 308.78 g/mol. Its IUPAC name is N-[[5-[(4-chloro-3-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-[(4-chloro-3-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine
PubChem CID107879639
Molecular FormulaC16H18ClFN2O
Molecular Weight308.78 g/mol
Exact Mass308.11
IUPAC NameN-[[5-[(4-chloro-3-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(OCc2ccc(Cl)c(F)c2)cn1
InChIInChI=1S/C16H18ClFN2O/c1-11(2)19-8-13-4-5-14(9-20-13)21-10-12-3-6-15(17)16(18)7-12/h3-7,9,11,19H,8,10H2,1-2H3
InChIKeyYTEJEOCKYYAWGA-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-[[5-[(3-chloro-4-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine
CID 103037879
1-[5-[(4-chloro-3-fluorophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine
CID 107879633
N-[[5-[(2,5-dichlorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine
CID 79781870
N-[[5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine
CID 79782732
N-[[5-[(4-bromo-2-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine
CID 79781312
N-[[5-[(3,4-dichlorophenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 79781676
N-[[5-(2,2-difluoroethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79782331
5-[(4-chloro-3-fluorophenyl)methoxy]pyridine-2-carboxylic acid
CID 107881627
N-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79781711
N-[[5-[(3-methyl-1,2-oxazol-5-yl)methoxy]-2-pyridinyl]methyl]propan-2-amine
CID 79782711
N-[[6-(4-chloro-3-fluorophenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 82718259
1-chloro-4-[(3,5-dimethylphenoxy)methyl]-2-fluorobenzene
CID 107888358

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-chloro-3-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[5-[(4-chloro-3-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine (CID 107879639) is N-[[5-[(4-chloro-3-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-[(4-chloro-3-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-[(4-chloro-3-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine is CC(C)NCc1ccc(OCc2ccc(Cl)c(F)c2)cn1.
What is the InChIKey of N-[[5-[(4-chloro-3-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine?
The InChIKey is YTEJEOCKYYAWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN2O/c1-11(2)19-8-13-4-5-14(9-20-13)21-10-12-3-6-15(17)16(18)7-12/h3-7,9,11,19H,8,10H2,1-2H3.
What are the key properties of N-[[5-[(4-chloro-3-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine?
N-[[5-[(4-chloro-3-fluorophenyl)methoxy]-2-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-[[5-[(4-chloro-3-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 107879639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).