1-[1-[4-(aminomethyl)-3-fluorophenyl]pyrrolidin-2-yl]propan-2-ol

C14H21FN2O — CID 112747815

IUPAC1-[1-[4-(aminomethyl)-3-fluorophenyl]pyrrolidin-2-yl]propan-2-ol
SMILESCC(O)CC1CCCN1c1ccc(CN)c(F)c1
InChIInChI=1S/C14H21FN2O/c1-10(18)7-12-3-2-6-17(12)13-5-4-11(9-16)14(15)8-13/h4-5,8,10,12,18H,2-3,6-7,9,16H2,1H3
InChIKeyPTIIFXSWUBKJTI-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.02
Rot. Bonds4

About 1-[1-[4-(aminomethyl)-3-fluorophenyl]pyrrolidin-2-yl]propan-2-ol

1-[1-[4-(aminomethyl)-3-fluorophenyl]pyrrolidin-2-yl]propan-2-ol (PubChem CID 112747815) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 1-[1-[4-(aminomethyl)-3-fluorophenyl]pyrrolidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[1-[4-(aminomethyl)-3-fluorophenyl]pyrrolidin-2-yl]propan-2-ol
PubChem CID112747815
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name1-[1-[4-(aminomethyl)-3-fluorophenyl]pyrrolidin-2-yl]propan-2-ol
SMILESCC(O)CC1CCCN1c1ccc(CN)c(F)c1
InChIInChI=1S/C14H21FN2O/c1-10(18)7-12-3-2-6-17(12)13-5-4-11(9-16)14(15)8-13/h4-5,8,10,12,18H,2-3,6-7,9,16H2,1H3
InChIKeyPTIIFXSWUBKJTI-UHFFFAOYSA-N
XLogP2.02
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-ethylpiperidin-1-yl)-2-fluorophenyl]methanamine
CID 115366675
1-[4-(aminomethyl)-3-fluorophenyl]pyrrolidine-2-carboxamide
CID 113295375
1-[1-[4-(aminomethyl)-3-fluorophenyl]pyrrolidin-3-yl]ethanol
CID 112624320
1-[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]propan-2-ol
CID 102880149
3-[1-[4-(aminomethyl)-3-methylphenyl]pyrrolidin-2-yl]propan-1-ol
CID 55076124
2-[1-[4-(aminomethyl)-3-bromophenyl]pyrrolidin-2-yl]ethanol
CID 112747807
[4-(azocan-1-yl)-2-fluorophenyl]methanamine
CID 115366666
1-[1-(5,6-diamino-2-pyridinyl)pyrrolidin-2-yl]propan-2-ol
CID 112747946
[4-(2-ethylazepan-1-yl)-2-methylphenyl]methanamine
CID 104688921
1-[4-(aminomethyl)-3-fluorophenyl]-N-methylpiperidine-4-carboxamide
CID 115366710
2-(2-methylpropyl)-1-phenylpyrrolidine
CID 11241145
[4-(1,3-dihydroisoindol-2-yl)-2-fluorophenyl]methanamine
CID 115366831

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(aminomethyl)-3-fluorophenyl]pyrrolidin-2-yl]propan-2-ol?
The IUPAC name of 1-[1-[4-(aminomethyl)-3-fluorophenyl]pyrrolidin-2-yl]propan-2-ol (CID 112747815) is 1-[1-[4-(aminomethyl)-3-fluorophenyl]pyrrolidin-2-yl]propan-2-ol.
What is the SMILES notation for 1-[1-[4-(aminomethyl)-3-fluorophenyl]pyrrolidin-2-yl]propan-2-ol?
The canonical SMILES for 1-[1-[4-(aminomethyl)-3-fluorophenyl]pyrrolidin-2-yl]propan-2-ol is CC(O)CC1CCCN1c1ccc(CN)c(F)c1.
What is the InChIKey of 1-[1-[4-(aminomethyl)-3-fluorophenyl]pyrrolidin-2-yl]propan-2-ol?
The InChIKey is PTIIFXSWUBKJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-10(18)7-12-3-2-6-17(12)13-5-4-11(9-16)14(15)8-13/h4-5,8,10,12,18H,2-3,6-7,9,16H2,1H3.
What are the key properties of 1-[1-[4-(aminomethyl)-3-fluorophenyl]pyrrolidin-2-yl]propan-2-ol?
1-[1-[4-(aminomethyl)-3-fluorophenyl]pyrrolidin-2-yl]propan-2-ol has a molecular weight of 252.33 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(aminomethyl)-3-fluorophenyl]pyrrolidin-2-yl]propan-2-ol is sourced from PubChem (CID 112747815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).