1-(2-fluorophenyl)-N-propyl-4-pyridin-2-ylbutan-2-amine

C18H23FN2 — CID 105090087

IUPAC1-(2-fluorophenyl)-N-propyl-4-pyridin-2-ylbutan-2-amine
SMILESCCCNC(CCc1ccccn1)Cc1ccccc1F
InChIInChI=1S/C18H23FN2/c1-2-12-20-17(11-10-16-8-5-6-13-21-16)14-15-7-3-4-9-18(15)19/h3-9,13,17,20H,2,10-12,14H2,1H3
InChIKeySTYZSMNIIIATGQ-UHFFFAOYSA-N
MW286.39 g/mol
LogP3.76
Rot. Bonds8

About 1-(2-fluorophenyl)-N-propyl-4-pyridin-2-ylbutan-2-amine

1-(2-fluorophenyl)-N-propyl-4-pyridin-2-ylbutan-2-amine (PubChem CID 105090087) has the molecular formula C18H23FN2 and a molecular weight of 286.39 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-propyl-4-pyridin-2-ylbutan-2-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-propyl-4-pyridin-2-ylbutan-2-amine
PubChem CID105090087
Molecular FormulaC18H23FN2
Molecular Weight286.39 g/mol
Exact Mass286.18
IUPAC Name1-(2-fluorophenyl)-N-propyl-4-pyridin-2-ylbutan-2-amine
SMILESCCCNC(CCc1ccccn1)Cc1ccccc1F
InChIInChI=1S/C18H23FN2/c1-2-12-20-17(11-10-16-8-5-6-13-21-16)14-15-7-3-4-9-18(15)19/h3-9,13,17,20H,2,10-12,14H2,1H3
InChIKeySTYZSMNIIIATGQ-UHFFFAOYSA-N
XLogP3.76
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-3-fluorophenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine
CID 105178944
1-(4-chloro-2-fluorophenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine
CID 105190483
7-methyl-N-propyl-1-pyridin-2-yloctan-3-amine
CID 105176977
6-methoxy-N-propyl-1-pyridin-2-ylhexan-3-amine
CID 105190112
1-(2-bromophenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine
CID 105087681
1-(2-bromo-3-fluorophenyl)-N-methyl-4-pyridin-2-ylbutan-2-amine
CID 105172143
1-(2-fluorophenyl)-4-methoxy-N-propylpentan-2-amine
CID 113391483
1-(2-methylphenyl)-N-propyl-3-pyridin-2-ylpropan-2-amine
CID 60818337
1-(2-fluorophenyl)-N-propyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79824475
N-propyl-1-pyridin-2-yloct-6-yn-3-amine
CID 105181373
6,6,6-trifluoro-1-(2-fluorophenyl)-N-propylhexan-2-amine
CID 115516510
4-methylsulfanyl-N-propyl-1-pyridin-2-ylbutan-2-amine
CID 105157999

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-propyl-4-pyridin-2-ylbutan-2-amine?
The IUPAC name of 1-(2-fluorophenyl)-N-propyl-4-pyridin-2-ylbutan-2-amine (CID 105090087) is 1-(2-fluorophenyl)-N-propyl-4-pyridin-2-ylbutan-2-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-propyl-4-pyridin-2-ylbutan-2-amine?
The canonical SMILES for 1-(2-fluorophenyl)-N-propyl-4-pyridin-2-ylbutan-2-amine is CCCNC(CCc1ccccn1)Cc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-N-propyl-4-pyridin-2-ylbutan-2-amine?
The InChIKey is STYZSMNIIIATGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2/c1-2-12-20-17(11-10-16-8-5-6-13-21-16)14-15-7-3-4-9-18(15)19/h3-9,13,17,20H,2,10-12,14H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-N-propyl-4-pyridin-2-ylbutan-2-amine?
1-(2-fluorophenyl)-N-propyl-4-pyridin-2-ylbutan-2-amine has a molecular weight of 286.39 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-propyl-4-pyridin-2-ylbutan-2-amine is sourced from PubChem (CID 105090087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).