1-(2-fluorophenyl)-2-methyl-N-propyl-3-pyrrolidin-1-ylpropan-1-amine

C17H27FN2 — CID 115996672

IUPAC1-(2-fluorophenyl)-2-methyl-N-propyl-3-pyrrolidin-1-ylpropan-1-amine
SMILESCCCNC(c1ccccc1F)C(C)CN1CCCC1
InChIInChI=1S/C17H27FN2/c1-3-10-19-17(15-8-4-5-9-16(15)18)14(2)13-20-11-6-7-12-20/h4-5,8-9,14,17,19H,3,6-7,10-13H2,1-2H3
InChIKeyQFMTXEATVWIBSX-UHFFFAOYSA-N
MW278.41 g/mol
LogP3.60
Rot. Bonds7

About 1-(2-fluorophenyl)-2-methyl-N-propyl-3-pyrrolidin-1-ylpropan-1-amine

1-(2-fluorophenyl)-2-methyl-N-propyl-3-pyrrolidin-1-ylpropan-1-amine (PubChem CID 115996672) has the molecular formula C17H27FN2 and a molecular weight of 278.41 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-methyl-N-propyl-3-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-methyl-N-propyl-3-pyrrolidin-1-ylpropan-1-amine
PubChem CID115996672
Molecular FormulaC17H27FN2
Molecular Weight278.41 g/mol
Exact Mass278.22
IUPAC Name1-(2-fluorophenyl)-2-methyl-N-propyl-3-pyrrolidin-1-ylpropan-1-amine
SMILESCCCNC(c1ccccc1F)C(C)CN1CCCC1
InChIInChI=1S/C17H27FN2/c1-3-10-19-17(15-8-4-5-9-16(15)18)14(2)13-20-11-6-7-12-20/h4-5,8-9,14,17,19H,3,6-7,10-13H2,1-2H3
InChIKeyQFMTXEATVWIBSX-UHFFFAOYSA-N
XLogP3.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N',N'-diethyl-1-(2-fluorophenyl)-2-methyl-N-propylpropane-1,3-diamine
CID 115996675
3-(azepan-1-yl)-1-(2-fluorophenyl)-N-propylpropan-1-amine
CID 62645138
1-(5-fluoro-2-pyridinyl)-2-methyl-N-propyl-3-pyrrolidin-1-ylpropan-1-amine
CID 115941126
1-(2-fluorophenyl)-N,2-dimethyl-3-piperazin-1-ylpropan-1-amine
CID 116960892
N'-ethyl-1-(2-fluorophenyl)-2-methyl-N,N'-dipropylpropane-1,3-diamine
CID 115996717
1-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 43181599
1-(2-fluorophenyl)-N,2-dimethyl-3-(1-oxo-1,4-thiazinan-4-yl)propan-1-amine
CID 115996832
2-methyl-1-phenyl-N-propyl-3-thiomorpholin-4-ylpropan-1-amine
CID 62618035
1-(2-fluorophenyl)-3-(3-methoxypiperidin-1-yl)-N,2-dimethylpropan-1-amine
CID 102967344
2-(2-fluorophenyl)-N-propylpentan-3-amine
CID 79308291
1-(2-fluorophenyl)-2-methyl-3-(4-propylpiperazin-1-yl)propan-1-ol
CID 115997045
N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]propan-1-amine
CID 58330527

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-methyl-N-propyl-3-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of 1-(2-fluorophenyl)-2-methyl-N-propyl-3-pyrrolidin-1-ylpropan-1-amine (CID 115996672) is 1-(2-fluorophenyl)-2-methyl-N-propyl-3-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-2-methyl-N-propyl-3-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for 1-(2-fluorophenyl)-2-methyl-N-propyl-3-pyrrolidin-1-ylpropan-1-amine is CCCNC(c1ccccc1F)C(C)CN1CCCC1.
What is the InChIKey of 1-(2-fluorophenyl)-2-methyl-N-propyl-3-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is QFMTXEATVWIBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-3-10-19-17(15-8-4-5-9-16(15)18)14(2)13-20-11-6-7-12-20/h4-5,8-9,14,17,19H,3,6-7,10-13H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-2-methyl-N-propyl-3-pyrrolidin-1-ylpropan-1-amine?
1-(2-fluorophenyl)-2-methyl-N-propyl-3-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 278.41 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-methyl-N-propyl-3-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 115996672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).