1-(2-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine

C16H26FN — CID 61066309

IUPAC1-(2-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine
SMILESCCCNC(Cc1ccccc1F)CC(C)(C)C
InChIInChI=1S/C16H26FN/c1-5-10-18-14(12-16(2,3)4)11-13-8-6-7-9-15(13)17/h6-9,14,18H,5,10-12H2,1-4H3
InChIKeyRWSPTALJTKABLD-UHFFFAOYSA-N
MW251.39 g/mol
LogP4.17
Rot. Bonds6

About 1-(2-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine

1-(2-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine (PubChem CID 61066309) has the molecular formula C16H26FN and a molecular weight of 251.39 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine
PubChem CID61066309
Molecular FormulaC16H26FN
Molecular Weight251.39 g/mol
Exact Mass251.20
IUPAC Name1-(2-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine
SMILESCCCNC(Cc1ccccc1F)CC(C)(C)C
InChIInChI=1S/C16H26FN/c1-5-10-18-14(12-16(2,3)4)11-13-8-6-7-9-15(13)17/h6-9,14,18H,5,10-12H2,1-4H3
InChIKeyRWSPTALJTKABLD-UHFFFAOYSA-N
XLogP4.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-bromo-2-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine
CID 63890254
1-(2-bromophenyl)-3-(2-fluorophenyl)-N-propylpropan-2-amine
CID 63417230
1-(2-fluorophenyl)-3-methylsulfonyl-N-propylpropan-2-amine
CID 62472909
6,6,6-trifluoro-1-(2-fluorophenyl)-N-propylhexan-2-amine
CID 115516510
1-(2-fluorophenyl)-4-methoxy-N-propylpentan-2-amine
CID 113391483
1,1,1-trifluoro-3-(2-fluorophenyl)-N-propylpropan-2-amine
CID 66466100
N-ethyl-1-(2-fluorophenyl)-4-methoxy-4-methylpentan-2-amine
CID 103024868
N-[1-(2,6-difluorophenyl)-2-(2-fluorophenyl)ethyl]propan-1-amine
CID 61066311
1-(2-fluorophenyl)-N-propyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79824475
1-(3-bromo-2,6-difluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine
CID 106267363
1-(2-fluorophenyl)-N-propyl-4-pyridin-2-ylbutan-2-amine
CID 105090087
1-(2,3-difluorophenyl)-3-phenyl-N-propylpropan-2-amine
CID 62601665

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine?
The IUPAC name of 1-(2-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine (CID 61066309) is 1-(2-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine?
The canonical SMILES for 1-(2-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine is CCCNC(Cc1ccccc1F)CC(C)(C)C.
What is the InChIKey of 1-(2-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine?
The InChIKey is RWSPTALJTKABLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN/c1-5-10-18-14(12-16(2,3)4)11-13-8-6-7-9-15(13)17/h6-9,14,18H,5,10-12H2,1-4H3.
What are the key properties of 1-(2-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine?
1-(2-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine has a molecular weight of 251.39 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine is sourced from PubChem (CID 61066309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).