N-[[4-(aminomethyl)-3-fluorophenyl]methyl]formamide

C9H11FN2O — CID 118871355

IUPACN-[[4-(aminomethyl)-3-fluorophenyl]methyl]formamide
SMILESNCc1ccc(CNC=O)cc1F
InChIInChI=1S/C9H11FN2O/c10-9-3-7(5-12-6-13)1-2-8(9)4-11/h1-3,6H,4-5,11H2,(H,12,13)
InChIKeyWTBSRLNRGTXCEK-UHFFFAOYSA-N
MW182.20 g/mol
LogP0.53
Rot. Bonds4

About N-[[4-(aminomethyl)-3-fluorophenyl]methyl]formamide

N-[[4-(aminomethyl)-3-fluorophenyl]methyl]formamide (PubChem CID 118871355) has the molecular formula C9H11FN2O and a molecular weight of 182.20 g/mol. Its IUPAC name is N-[[4-(aminomethyl)-3-fluorophenyl]methyl]formamide.

Molecular Properties

Compound NameN-[[4-(aminomethyl)-3-fluorophenyl]methyl]formamide
PubChem CID118871355
Molecular FormulaC9H11FN2O
Molecular Weight182.20 g/mol
Exact Mass182.09
IUPAC NameN-[[4-(aminomethyl)-3-fluorophenyl]methyl]formamide
SMILESNCc1ccc(CNC=O)cc1F
InChIInChI=1S/C9H11FN2O/c10-9-3-7(5-12-6-13)1-2-8(9)4-11/h1-3,6H,4-5,11H2,(H,12,13)
InChIKeyWTBSRLNRGTXCEK-UHFFFAOYSA-N
XLogP0.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(aminomethyl)phenyl]methyl]formamide;hydrochloride
CID 141415760
N-[(4-ethynyl-3-fluorophenyl)methyl]formamide
CID 166458706
N-[(4-chloro-2-fluorophenyl)methyl]formamide
CID 88924911
N-[(3-cyano-4-fluorophenyl)methyl]formamide
CID 87090895
3-[4-(aminomethyl)-3-fluorophenyl]propan-1-amine;dihydrochloride
CID 22743258
[2-fluoro-4-(2-methylpropyl)phenyl]methanamine
CID 63887126
[4-(aminomethyl)-3-fluorophenyl]methyl hydrogen sulfite
CID 174576617
ethyl 2-[2-fluoro-4-(formamidomethyl)anilino]-3-methylbutanoate
CID 143723971
N-[[4-(hydroxymethyl)phenyl]methyl]formamide
CID 58613645
[4-[(3,4-difluorophenyl)methoxy]-2-fluorophenyl]methanamine
CID 82919254
N-benzylformamide
CID 139060556
[3-fluoro-4-(methylsulfonylmethyl)phenyl]methanamine
CID 64696823

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)-3-fluorophenyl]methyl]formamide?
The IUPAC name of N-[[4-(aminomethyl)-3-fluorophenyl]methyl]formamide (CID 118871355) is N-[[4-(aminomethyl)-3-fluorophenyl]methyl]formamide.
What is the SMILES notation for N-[[4-(aminomethyl)-3-fluorophenyl]methyl]formamide?
The canonical SMILES for N-[[4-(aminomethyl)-3-fluorophenyl]methyl]formamide is NCc1ccc(CNC=O)cc1F.
What is the InChIKey of N-[[4-(aminomethyl)-3-fluorophenyl]methyl]formamide?
The InChIKey is WTBSRLNRGTXCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O/c10-9-3-7(5-12-6-13)1-2-8(9)4-11/h1-3,6H,4-5,11H2,(H,12,13).
What are the key properties of N-[[4-(aminomethyl)-3-fluorophenyl]methyl]formamide?
N-[[4-(aminomethyl)-3-fluorophenyl]methyl]formamide has a molecular weight of 182.20 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)-3-fluorophenyl]methyl]formamide is sourced from PubChem (CID 118871355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).