N-[(3-fluorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine

C14H21FN2 — CID 28657741

IUPACN-[(3-fluorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
SMILESFc1cccc(CNCCCN2CCCC2)c1
InChIInChI=1S/C14H21FN2/c15-14-6-3-5-13(11-14)12-16-7-4-10-17-8-1-2-9-17/h3,5-6,11,16H,1-2,4,7-10,12H2
InChIKeyFBEFHPXENYVCAX-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.40
Rot. Bonds6

About N-[(3-fluorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine

N-[(3-fluorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine (PubChem CID 28657741) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
PubChem CID28657741
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC NameN-[(3-fluorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
SMILESFc1cccc(CNCCCN2CCCC2)c1
InChIInChI=1S/C14H21FN2/c15-14-6-3-5-13(11-14)12-16-7-4-10-17-8-1-2-9-17/h3,5-6,11,16H,1-2,4,7-10,12H2
InChIKeyFBEFHPXENYVCAX-UHFFFAOYSA-N
XLogP2.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3-fluorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 3152143
N-[(3-fluorophenyl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 28679808
N-[(4-fluorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28657718
N-[(3-cyclopropylphenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 79979264
3-[(3-piperidin-1-ylpropylamino)methyl]benzonitrile
CID 28657390
N-[(2,6-difluorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28657757
3-pyrrolidin-1-yl-N-[[4-[(2-pyrrolidin-1-ylethylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899287
N-[(3-propoxyphenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 60957364
N-[(3,5-difluorophenyl)methyl]-2-piperidin-1-ylethanamine
CID 112705216
3-[(3-fluorophenyl)methylamino]propan-1-ol
CID 28714303
N-[(2-chloro-5-fluorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 102615682
N-benzyl-6-piperidin-1-ylhexan-1-amine
CID 54404338

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of N-[(3-fluorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine (CID 28657741) is N-[(3-fluorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine is Fc1cccc(CNCCCN2CCCC2)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is FBEFHPXENYVCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c15-14-6-3-5-13(11-14)12-16-7-4-10-17-8-1-2-9-17/h3,5-6,11,16H,1-2,4,7-10,12H2.
What are the key properties of N-[(3-fluorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine?
N-[(3-fluorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 236.33 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 28657741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).