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

C14H21FN2 — CID 114794765

IUPACN-[1-(4-fluorophenyl)propan-2-yl]-N-methylpyrrolidin-3-amine
SMILESCC(Cc1ccc(F)cc1)N(C)C1CCNC1
InChIInChI=1S/C14H21FN2/c1-11(17(2)14-7-8-16-10-14)9-12-3-5-13(15)6-4-12/h3-6,11,14,16H,7-10H2,1-2H3
InChIKeyVBKRQHXUYIEVMQ-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.05
Rot. Bonds4

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

N-[1-(4-fluorophenyl)propan-2-yl]-N-methylpyrrolidin-3-amine (PubChem CID 114794765) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)propan-2-yl]-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)propan-2-yl]-N-methylpyrrolidin-3-amine
PubChem CID114794765
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC NameN-[1-(4-fluorophenyl)propan-2-yl]-N-methylpyrrolidin-3-amine
SMILESCC(Cc1ccc(F)cc1)N(C)C1CCNC1
InChIInChI=1S/C14H21FN2/c1-11(17(2)14-7-8-16-10-14)9-12-3-5-13(15)6-4-12/h3-6,11,14,16H,7-10H2,1-2H3
InChIKeyVBKRQHXUYIEVMQ-UHFFFAOYSA-N
XLogP2.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-methoxyphenyl)propan-2-yl]-N-methylpyrrolidin-3-amine
CID 63297878
4-[2-[azetidin-3-yl(methyl)amino]propyl]phenol
CID 115496116
N-methyl-N-(1-phenylbutan-2-yl)pyrrolidin-3-amine
CID 79008172
2-[methyl(pyrrolidin-3-yl)amino]propan-1-ol
CID 104556943
1-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-2-amine
CID 114832441
2-N-cyclopropyl-1-N-[1-(4-fluorophenyl)propan-2-yl]-2-N-methylpropane-1,2-diamine
CID 103781637
N-[1-(2,3-difluorophenyl)ethyl]-N-methylpyrrolidin-3-amine
CID 114059322
N-[1-(4-bromo-2-fluorophenyl)ethyl]-N-methylpyrrolidin-3-amine
CID 82970177
N-[1-(2,4-difluorophenyl)ethyl]-N-methylpiperidin-3-amine
CID 55248346
(3S)-N-methyl-N-propan-2-ylpyrrolidin-3-amine;dihydrochloride
CID 138393817
N-[1-(2,4-difluorophenyl)ethyl]-N-ethylpyrrolidin-3-amine
CID 63299279
N-methyl-N-(4-propylphenyl)pyrrolidin-3-amine
CID 115118684

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)propan-2-yl]-N-methylpyrrolidin-3-amine?
The IUPAC name of N-[1-(4-fluorophenyl)propan-2-yl]-N-methylpyrrolidin-3-amine (CID 114794765) is N-[1-(4-fluorophenyl)propan-2-yl]-N-methylpyrrolidin-3-amine.
What is the SMILES notation for N-[1-(4-fluorophenyl)propan-2-yl]-N-methylpyrrolidin-3-amine?
The canonical SMILES for N-[1-(4-fluorophenyl)propan-2-yl]-N-methylpyrrolidin-3-amine is CC(Cc1ccc(F)cc1)N(C)C1CCNC1.
What is the InChIKey of N-[1-(4-fluorophenyl)propan-2-yl]-N-methylpyrrolidin-3-amine?
The InChIKey is VBKRQHXUYIEVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-11(17(2)14-7-8-16-10-14)9-12-3-5-13(15)6-4-12/h3-6,11,14,16H,7-10H2,1-2H3.
What are the key properties of N-[1-(4-fluorophenyl)propan-2-yl]-N-methylpyrrolidin-3-amine?
N-[1-(4-fluorophenyl)propan-2-yl]-N-methylpyrrolidin-3-amine has a molecular weight of 236.33 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)propan-2-yl]-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 114794765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).