1-(3,4-difluorophenyl)-N-propyl-2-pyridin-2-ylpropan-1-amine

C17H20F2N2 — CID 66447426

IUPAC1-(3,4-difluorophenyl)-N-propyl-2-pyridin-2-ylpropan-1-amine
SMILESCCCNC(c1ccc(F)c(F)c1)C(C)c1ccccn1
InChIInChI=1S/C17H20F2N2/c1-3-9-21-17(12(2)16-6-4-5-10-20-16)13-7-8-14(18)15(19)11-13/h4-8,10-12,17,21H,3,9H2,1-2H3
InChIKeyVMUXHZTYRVXWNI-UHFFFAOYSA-N
MW290.36 g/mol
LogP4.20
Rot. Bonds6

About 1-(3,4-difluorophenyl)-N-propyl-2-pyridin-2-ylpropan-1-amine

1-(3,4-difluorophenyl)-N-propyl-2-pyridin-2-ylpropan-1-amine (PubChem CID 66447426) has the molecular formula C17H20F2N2 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N-propyl-2-pyridin-2-ylpropan-1-amine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N-propyl-2-pyridin-2-ylpropan-1-amine
PubChem CID66447426
Molecular FormulaC17H20F2N2
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-(3,4-difluorophenyl)-N-propyl-2-pyridin-2-ylpropan-1-amine
SMILESCCCNC(c1ccc(F)c(F)c1)C(C)c1ccccn1
InChIInChI=1S/C17H20F2N2/c1-3-9-21-17(12(2)16-6-4-5-10-20-16)13-7-8-14(18)15(19)11-13/h4-8,10-12,17,21H,3,9H2,1-2H3
InChIKeyVMUXHZTYRVXWNI-UHFFFAOYSA-N
XLogP4.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3,4-difluorophenyl)-N-propyl-2-pyridin-2-ylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-propyl-2-pyridin-2-yl-1-pyridin-4-ylpropan-1-amine
CID 66447627
1-(2-bromo-5-fluorophenyl)-N-propyl-2-pyridin-2-ylpropan-1-amine
CID 66447432
1-(2-methylfuran-3-yl)-N-propyl-2-pyridin-2-ylpropan-1-amine
CID 66448009
N-propyl-2-pyridin-2-yl-1-(2,4,5-trimethylfuran-3-yl)propan-1-amine
CID 66446839
1-(2-bromo-5-methylphenyl)-N-propyl-2-pyridin-2-ylpropan-1-amine
CID 81112033
N,4-dipropyl-2-pyridin-2-ylheptan-3-amine
CID 82987036
1-(3,4-difluorophenyl)-N-methyl-1-pyridin-2-ylmethanamine
CID 62802022
2,2-difluoro-N-propyl-4-pyridin-2-ylpentan-3-amine
CID 114249556
1-(3,4-difluorophenyl)-2-ethoxy-3-methyl-N-propylbutan-1-amine
CID 116721756
N-ethyl-1-(2-fluorophenyl)-2-pyridin-2-ylpropan-1-amine
CID 66447023
1-(2,3-difluorophenyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine
CID 66447218
1-(4-bromo-3-chlorophenyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine
CID 81295824

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N-propyl-2-pyridin-2-ylpropan-1-amine?
The IUPAC name of 1-(3,4-difluorophenyl)-N-propyl-2-pyridin-2-ylpropan-1-amine (CID 66447426) is 1-(3,4-difluorophenyl)-N-propyl-2-pyridin-2-ylpropan-1-amine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N-propyl-2-pyridin-2-ylpropan-1-amine?
The canonical SMILES for 1-(3,4-difluorophenyl)-N-propyl-2-pyridin-2-ylpropan-1-amine is CCCNC(c1ccc(F)c(F)c1)C(C)c1ccccn1.
What is the InChIKey of 1-(3,4-difluorophenyl)-N-propyl-2-pyridin-2-ylpropan-1-amine?
The InChIKey is VMUXHZTYRVXWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2/c1-3-9-21-17(12(2)16-6-4-5-10-20-16)13-7-8-14(18)15(19)11-13/h4-8,10-12,17,21H,3,9H2,1-2H3.
What are the key properties of 1-(3,4-difluorophenyl)-N-propyl-2-pyridin-2-ylpropan-1-amine?
1-(3,4-difluorophenyl)-N-propyl-2-pyridin-2-ylpropan-1-amine has a molecular weight of 290.36 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-N-propyl-2-pyridin-2-ylpropan-1-amine is sourced from PubChem (CID 66447426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).