1-(4-fluorophenyl)-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine

C17H27FN2 — CID 106602815

IUPAC1-(4-fluorophenyl)-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
SMILESCCC(c1ccc(F)cc1)N(CC1CCCN1)C(C)C
InChIInChI=1S/C17H27FN2/c1-4-17(14-7-9-15(18)10-8-14)20(13(2)3)12-16-6-5-11-19-16/h7-10,13,16-17,19H,4-6,11-12H2,1-3H3
InChIKeyCPJVVWUNQGHSFS-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.74
Rot. Bonds6

About 1-(4-fluorophenyl)-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine

1-(4-fluorophenyl)-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine (PubChem CID 106602815) has the molecular formula C17H27FN2 and a molecular weight of 278.42 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
PubChem CID106602815
Molecular FormulaC17H27FN2
Molecular Weight278.42 g/mol
Exact Mass278.22
IUPAC Name1-(4-fluorophenyl)-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
SMILESCCC(c1ccc(F)cc1)N(CC1CCCN1)C(C)C
InChIInChI=1S/C17H27FN2/c1-4-17(14-7-9-15(18)10-8-14)20(13(2)3)12-16-6-5-11-19-16/h7-10,13,16-17,19H,4-6,11-12H2,1-3H3
InChIKeyCPJVVWUNQGHSFS-UHFFFAOYSA-N
XLogP3.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine
CID 106623943
1-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propylpropan-1-amine
CID 106623207
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)butan-2-amine
CID 106603221
N-[1-(3-bromo-4-fluorophenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106603186
N-ethyl-1-(4-methylphenyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603520
3-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pentan-2-amine
CID 106602821
1-phenyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106602939
N-[1-(2-chloro-4-fluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106622086
1-cyclopropyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603245
1-(4-chlorophenyl)-N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106604524
1-(2-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propan-2-ylpropan-2-amine
CID 106622166
N-[1-(2-ethoxyphenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106602862

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The IUPAC name of 1-(4-fluorophenyl)-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine (CID 106602815) is 1-(4-fluorophenyl)-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The canonical SMILES for 1-(4-fluorophenyl)-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine is CCC(c1ccc(F)cc1)N(CC1CCCN1)C(C)C.
What is the InChIKey of 1-(4-fluorophenyl)-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The InChIKey is CPJVVWUNQGHSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-4-17(14-7-9-15(18)10-8-14)20(13(2)3)12-16-6-5-11-19-16/h7-10,13,16-17,19H,4-6,11-12H2,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
1-(4-fluorophenyl)-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine has a molecular weight of 278.42 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 106602815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).