[4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-fluorophenyl]methanol

C14H21FN2O — CID 62887739

IUPAC[4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-fluorophenyl]methanol
SMILESCN(C)CC1CCCN1c1ccc(CO)cc1F
InChIInChI=1S/C14H21FN2O/c1-16(2)9-12-4-3-7-17(12)14-6-5-11(10-18)8-13(14)15/h5-6,8,12,18H,3-4,7,9-10H2,1-2H3
InChIKeyJHZNOUMWFCZBKT-UHFFFAOYSA-N
MW252.33 g/mol
LogP1.85
Rot. Bonds4

About [4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-fluorophenyl]methanol

[4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-fluorophenyl]methanol (PubChem CID 62887739) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is [4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-fluorophenyl]methanol.

Molecular Properties

Compound Name[4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-fluorophenyl]methanol
PubChem CID62887739
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name[4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-fluorophenyl]methanol
SMILESCN(C)CC1CCCN1c1ccc(CO)cc1F
InChIInChI=1S/C14H21FN2O/c1-16(2)9-12-4-3-7-17(12)14-6-5-11(10-18)8-13(14)15/h5-6,8,12,18H,3-4,7,9-10H2,1-2H3
InChIKeyJHZNOUMWFCZBKT-UHFFFAOYSA-N
XLogP1.85
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

1-[1-[4-(aminomethyl)-2-fluorophenyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 62885527
4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-fluorobenzenecarboximidamide
CID 62887717
[4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3-fluorophenyl]methanol
CID 79319283
[1-[4-(aminomethyl)-2-fluorophenyl]piperidin-2-yl]methanol
CID 61406388
5-chloro-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]benzoic acid
CID 62890034
5-(bromomethyl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]benzonitrile
CID 114063586
N-[[4-(2-ethylpyrrolidin-1-yl)-3-fluorophenyl]methyl]propan-2-amine
CID 54885787
5-amino-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]benzoic acid
CID 62889596
4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-(trifluoromethyl)aniline
CID 62885220
[4-(3-ethylpiperidin-1-yl)-3-fluorophenyl]methanol
CID 43584730
2-bromo-4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-fluorobenzenecarbothioamide
CID 107535065
1-[1-[4-(bromomethyl)-2-nitrophenyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 107082885

Frequently Asked Questions

What is the IUPAC name of [4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-fluorophenyl]methanol?
The IUPAC name of [4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-fluorophenyl]methanol (CID 62887739) is [4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-fluorophenyl]methanol.
What is the SMILES notation for [4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-fluorophenyl]methanol?
The canonical SMILES for [4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-fluorophenyl]methanol is CN(C)CC1CCCN1c1ccc(CO)cc1F.
What is the InChIKey of [4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-fluorophenyl]methanol?
The InChIKey is JHZNOUMWFCZBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-16(2)9-12-4-3-7-17(12)14-6-5-11(10-18)8-13(14)15/h5-6,8,12,18H,3-4,7,9-10H2,1-2H3.
What are the key properties of [4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-fluorophenyl]methanol?
[4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-fluorophenyl]methanol has a molecular weight of 252.33 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-fluorophenyl]methanol is sourced from PubChem (CID 62887739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).