4-fluoro-2-iodo-N-(pyrrolidin-2-ylmethyl)aniline

C11H14FIN2 — CID 106638789

IUPAC4-fluoro-2-iodo-N-(pyrrolidin-2-ylmethyl)aniline
SMILESFc1ccc(NCC2CCCN2)c(I)c1
InChIInChI=1S/C11H14FIN2/c12-8-3-4-11(10(13)6-8)15-7-9-2-1-5-14-9/h3-4,6,9,14-15H,1-2,5,7H2
InChIKeyNVPDIAVKIGRXRC-UHFFFAOYSA-N
MW320.15 g/mol
LogP2.59
Rot. Bonds3

About 4-fluoro-2-iodo-N-(pyrrolidin-2-ylmethyl)aniline

4-fluoro-2-iodo-N-(pyrrolidin-2-ylmethyl)aniline (PubChem CID 106638789) has the molecular formula C11H14FIN2 and a molecular weight of 320.15 g/mol. Its IUPAC name is 4-fluoro-2-iodo-N-(pyrrolidin-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-fluoro-2-iodo-N-(pyrrolidin-2-ylmethyl)aniline
PubChem CID106638789
Molecular FormulaC11H14FIN2
Molecular Weight320.15 g/mol
Exact Mass320.02
IUPAC Name4-fluoro-2-iodo-N-(pyrrolidin-2-ylmethyl)aniline
SMILESFc1ccc(NCC2CCCN2)c(I)c1
InChIInChI=1S/C11H14FIN2/c12-8-3-4-11(10(13)6-8)15-7-9-2-1-5-14-9/h3-4,6,9,14-15H,1-2,5,7H2
InChIKeyNVPDIAVKIGRXRC-UHFFFAOYSA-N
XLogP2.59
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.15
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-difluoro-N-(2-pyrrolidin-2-ylethyl)aniline
CID 115210125
2,3,4-trifluoro-N-(piperidin-2-ylmethyl)aniline
CID 106632842
5-fluoro-2-nitro-N-(piperidin-2-ylmethyl)aniline
CID 62378347
4-fluoro-2-iodo-N-(oxolan-3-ylmethyl)aniline
CID 79769061
5-fluoro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 62542199
6-fluoro-N-(pyrrolidin-2-ylmethyl)isoquinolin-1-amine
CID 115054238
N-[(2,4-difluorophenyl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 106638289
4-chloro-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)aniline
CID 103693086
2-fluoro-5-methoxy-N-(pyrrolidin-2-ylmethyl)aniline
CID 106638811
N-[(4-fluorophenyl)methyl]-1-[(2S)-pyrrolidin-2-yl]methanamine
CID 86329810
2,3,5,6-tetrafluoro-N-(pyrrolidin-2-ylmethyl)aniline
CID 107643785
N-[(4-fluorophenyl)methyl]-1-[(2R)-pyrrolidin-2-yl]methanamine
CID 86329812

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-iodo-N-(pyrrolidin-2-ylmethyl)aniline?
The IUPAC name of 4-fluoro-2-iodo-N-(pyrrolidin-2-ylmethyl)aniline (CID 106638789) is 4-fluoro-2-iodo-N-(pyrrolidin-2-ylmethyl)aniline.
What is the SMILES notation for 4-fluoro-2-iodo-N-(pyrrolidin-2-ylmethyl)aniline?
The canonical SMILES for 4-fluoro-2-iodo-N-(pyrrolidin-2-ylmethyl)aniline is Fc1ccc(NCC2CCCN2)c(I)c1.
What is the InChIKey of 4-fluoro-2-iodo-N-(pyrrolidin-2-ylmethyl)aniline?
The InChIKey is NVPDIAVKIGRXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FIN2/c12-8-3-4-11(10(13)6-8)15-7-9-2-1-5-14-9/h3-4,6,9,14-15H,1-2,5,7H2.
What are the key properties of 4-fluoro-2-iodo-N-(pyrrolidin-2-ylmethyl)aniline?
4-fluoro-2-iodo-N-(pyrrolidin-2-ylmethyl)aniline has a molecular weight of 320.15 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-iodo-N-(pyrrolidin-2-ylmethyl)aniline is sourced from PubChem (CID 106638789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).