N-(4-fluorophenyl)-N-methyl-5-(propylaminomethyl)pyridin-2-amine

C16H20FN3 — CID 62293723

IUPACN-(4-fluorophenyl)-N-methyl-5-(propylaminomethyl)pyridin-2-amine
SMILESCCCNCc1ccc(N(C)c2ccc(F)cc2)nc1
InChIInChI=1S/C16H20FN3/c1-3-10-18-11-13-4-9-16(19-12-13)20(2)15-7-5-14(17)6-8-15/h4-9,12,18H,3,10-11H2,1-2H3
InChIKeyCFQUNQSUJLOCDW-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.49
Rot. Bonds6

About N-(4-fluorophenyl)-N-methyl-5-(propylaminomethyl)pyridin-2-amine

N-(4-fluorophenyl)-N-methyl-5-(propylaminomethyl)pyridin-2-amine (PubChem CID 62293723) has the molecular formula C16H20FN3 and a molecular weight of 273.36 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-methyl-5-(propylaminomethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-methyl-5-(propylaminomethyl)pyridin-2-amine
PubChem CID62293723
Molecular FormulaC16H20FN3
Molecular Weight273.36 g/mol
Exact Mass273.16
IUPAC NameN-(4-fluorophenyl)-N-methyl-5-(propylaminomethyl)pyridin-2-amine
SMILESCCCNCc1ccc(N(C)c2ccc(F)cc2)nc1
InChIInChI=1S/C16H20FN3/c1-3-10-18-11-13-4-9-16(19-12-13)20(2)15-7-5-14(17)6-8-15/h4-9,12,18H,3,10-11H2,1-2H3
InChIKeyCFQUNQSUJLOCDW-UHFFFAOYSA-N
XLogP3.49
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.49
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-ethyl-N-(4-fluorophenyl)-5-(propylaminomethyl)pyridin-2-amine
CID 62283567
N-methyl-N-(3-methylphenyl)-5-(propylaminomethyl)pyridin-2-amine
CID 62293001
N-methyl-N-(2-methylphenyl)-5-(propylaminomethyl)pyridin-2-amine
CID 62293758
N-butyl-N-methyl-5-(propylaminomethyl)pyridin-2-amine
CID 62285989
4-fluoro-N-methyl-N-[[4-(propylaminomethyl)phenyl]methyl]aniline
CID 62436761
N-[[6-(4-fluorophenyl)sulfanyl-3-pyridinyl]methyl]propan-1-amine
CID 80639944
N-methyl-N-[(2-methylcyclopropyl)methyl]-5-(propylaminomethyl)pyridin-2-amine
CID 63864727
N-cyclopropyl-N-ethyl-5-(propylaminomethyl)pyridin-2-amine
CID 62279551
N-methyl-2-[methyl-[5-(propylaminomethyl)-2-pyridinyl]amino]acetamide
CID 80630091
N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]propan-1-amine
CID 62453982
N-ethyl-2-[methyl-[5-(propylaminomethyl)-2-pyridinyl]amino]acetamide
CID 80630604
N-[[6-(2,4-difluorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62297251

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-methyl-5-(propylaminomethyl)pyridin-2-amine?
The IUPAC name of N-(4-fluorophenyl)-N-methyl-5-(propylaminomethyl)pyridin-2-amine (CID 62293723) is N-(4-fluorophenyl)-N-methyl-5-(propylaminomethyl)pyridin-2-amine.
What is the SMILES notation for N-(4-fluorophenyl)-N-methyl-5-(propylaminomethyl)pyridin-2-amine?
The canonical SMILES for N-(4-fluorophenyl)-N-methyl-5-(propylaminomethyl)pyridin-2-amine is CCCNCc1ccc(N(C)c2ccc(F)cc2)nc1.
What is the InChIKey of N-(4-fluorophenyl)-N-methyl-5-(propylaminomethyl)pyridin-2-amine?
The InChIKey is CFQUNQSUJLOCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3/c1-3-10-18-11-13-4-9-16(19-12-13)20(2)15-7-5-14(17)6-8-15/h4-9,12,18H,3,10-11H2,1-2H3.
What are the key properties of N-(4-fluorophenyl)-N-methyl-5-(propylaminomethyl)pyridin-2-amine?
N-(4-fluorophenyl)-N-methyl-5-(propylaminomethyl)pyridin-2-amine has a molecular weight of 273.36 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-methyl-5-(propylaminomethyl)pyridin-2-amine is sourced from PubChem (CID 62293723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).