1-(4-fluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-2-amine

C17H27FN2 — CID 114829496

IUPAC1-(4-fluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-2-amine
SMILESCC(Cc1ccc(F)cc1)NCC1CCN(C(C)C)C1
InChIInChI=1S/C17H27FN2/c1-13(2)20-9-8-16(12-20)11-19-14(3)10-15-4-6-17(18)7-5-15/h4-7,13-14,16,19H,8-12H2,1-3H3
InChIKeyOEAZFAKKNUNPBW-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.08
Rot. Bonds6

About 1-(4-fluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-2-amine

1-(4-fluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-2-amine (PubChem CID 114829496) has the molecular formula C17H27FN2 and a molecular weight of 278.42 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-2-amine
PubChem CID114829496
Molecular FormulaC17H27FN2
Molecular Weight278.42 g/mol
Exact Mass278.22
IUPAC Name1-(4-fluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-2-amine
SMILESCC(Cc1ccc(F)cc1)NCC1CCN(C(C)C)C1
InChIInChI=1S/C17H27FN2/c1-13(2)20-9-8-16(12-20)11-19-14(3)10-15-4-6-17(18)7-5-15/h4-7,13-14,16,19H,8-12H2,1-3H3
InChIKeyOEAZFAKKNUNPBW-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 84588050
(2S)-1-(4-fluorophenyl)-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 97230283
1-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)propan-2-amine
CID 80555461
3-(4-fluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclobutan-1-amine
CID 61206988
1-(3,4-difluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine
CID 61207729
4-[2-[(1-ethylpyrrolidin-3-yl)methylamino]propyl]phenol
CID 115494201
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]hexan-2-amine
CID 61207933
1-(4-bromophenyl)-N-[(1-methylpiperidin-3-yl)methyl]propan-2-amine
CID 55099655
2-amino-4-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 63109999
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pentan-3-amine
CID 61208503
N-(cyclopropylmethyl)-1-(4-methylphenyl)propan-2-amine
CID 115708864
(2R)-1-(4-chlorophenyl)-N-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]propan-2-amine
CID 97116075

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-2-amine?
The IUPAC name of 1-(4-fluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-2-amine (CID 114829496) is 1-(4-fluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-2-amine?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-2-amine is CC(Cc1ccc(F)cc1)NCC1CCN(C(C)C)C1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-2-amine?
The InChIKey is OEAZFAKKNUNPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-13(2)20-9-8-16(12-20)11-19-14(3)10-15-4-6-17(18)7-5-15/h4-7,13-14,16,19H,8-12H2,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-2-amine?
1-(4-fluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-2-amine has a molecular weight of 278.42 g/mol, XLogP of 3.08, 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-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-2-amine is sourced from PubChem (CID 114829496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).