2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-3-fluoroaniline

C14H22FN3 — CID 63330937

IUPAC2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-3-fluoroaniline
SMILESCN(C)CC1CCCN1Cc1c(N)cccc1F
InChIInChI=1S/C14H22FN3/c1-17(2)9-11-5-4-8-18(11)10-12-13(15)6-3-7-14(12)16/h3,6-7,11H,4-5,8-10,16H2,1-2H3
InChIKeyYCSNECLVFWTVFZ-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.93
Rot. Bonds4

About 2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-3-fluoroaniline

2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-3-fluoroaniline (PubChem CID 63330937) has the molecular formula C14H22FN3 and a molecular weight of 251.35 g/mol. Its IUPAC name is 2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-3-fluoroaniline.

Molecular Properties

Compound Name2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-3-fluoroaniline
PubChem CID63330937
Molecular FormulaC14H22FN3
Molecular Weight251.35 g/mol
Exact Mass251.18
IUPAC Name2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-3-fluoroaniline
SMILESCN(C)CC1CCCN1Cc1c(N)cccc1F
InChIInChI=1S/C14H22FN3/c1-17(2)9-11-5-4-8-18(11)10-12-13(15)6-3-7-14(12)16/h3,6-7,11H,4-5,8-10,16H2,1-2H3
InChIKeyYCSNECLVFWTVFZ-UHFFFAOYSA-N
XLogP1.93
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]aniline
CID 62885023
(2R)-1-[(2,6-difluorophenyl)methyl]-2-ethylpiperidine
CID 870763
3-bromo-2-[(2-ethylpyrrolidin-1-yl)methyl]aniline
CID 60973615
1-[(2-amino-6-fluorophenyl)methyl]piperidine-2-carboxamide
CID 63331060
2-[3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propyl]aniline
CID 107274456
[1-[(2,6-difluorophenyl)methyl]azepan-2-yl]methanol
CID 114933196
1-[(2-amino-6-fluorophenyl)methyl]piperidin-3-ol
CID 63331097
3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]phenol
CID 82979279
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-methylaniline
CID 115550464
2-bromo-6-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]phenol
CID 82979557
2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-5-methoxyaniline
CID 115414082
(1R)-1-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-6-fluorophenyl]ethanamine
CID 63368980

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-3-fluoroaniline?
The IUPAC name of 2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-3-fluoroaniline (CID 63330937) is 2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-3-fluoroaniline.
What is the SMILES notation for 2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-3-fluoroaniline?
The canonical SMILES for 2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-3-fluoroaniline is CN(C)CC1CCCN1Cc1c(N)cccc1F.
What is the InChIKey of 2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-3-fluoroaniline?
The InChIKey is YCSNECLVFWTVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3/c1-17(2)9-11-5-4-8-18(11)10-12-13(15)6-3-7-14(12)16/h3,6-7,11H,4-5,8-10,16H2,1-2H3.
What are the key properties of 2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-3-fluoroaniline?
2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-3-fluoroaniline has a molecular weight of 251.35 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-3-fluoroaniline is sourced from PubChem (CID 63330937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).