N-[(4-fluorophenyl)methyl]ethanamine

C9H12FN — CID 4716481

IUPACN-[(4-fluorophenyl)methyl]ethanamine
SMILESCCNCc1ccc(F)cc1
InChIInChI=1S/C9H12FN/c1-2-11-7-8-3-5-9(10)6-4-8/h3-6,11H,2,7H2,1H3
InChIKeyCURFQQZYGVCIGJ-UHFFFAOYSA-N
MW153.20 g/mol
LogP1.94
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]ethanamine

N-[(4-fluorophenyl)methyl]ethanamine (PubChem CID 4716481) has the molecular formula C9H12FN and a molecular weight of 153.20 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]ethanamine
PubChem CID4716481
Molecular FormulaC9H12FN
Molecular Weight153.20 g/mol
Exact Mass153.10
IUPAC NameN-[(4-fluorophenyl)methyl]ethanamine
SMILESCCNCc1ccc(F)cc1
InChIInChI=1S/C9H12FN/c1-2-11-7-8-3-5-9(10)6-4-8/h3-6,11H,2,7H2,1H3
InChIKeyCURFQQZYGVCIGJ-UHFFFAOYSA-N
XLogP1.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-N-[[4-(ethylaminomethyl)phenyl]methyl]-4-fluoroaniline
CID 62429487
4-(ethylaminomethyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 28715741
N-[(4-methylphenyl)methyl]ethanamine
CID 4716476
N-[[4-(chloromethyl)phenyl]methyl]ethanamine
CID 107232930
N-[[4-(2-chloro-5-fluorophenyl)phenyl]methyl]ethanamine
CID 105395732
N-[(4-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine
CID 14599999
N-[(3,4-difluorophenyl)methyl]ethanamine
CID 24690340
N-[[3-(4-fluorophenoxy)-4-methylphenyl]methyl]ethanamine
CID 105406759
2-[(4-fluorophenyl)methylamino]-1-(4-propylphenyl)ethanol
CID 82316019
N-[[4-[(2,4-difluorophenoxy)methyl]phenyl]methyl]ethanamine
CID 62450377
N,N-diethyl-2-[(4-fluorophenyl)methylamino]acetamide
CID 28581599
1-(ethylamino)-3-(4-fluorophenyl)propan-2-one
CID 116562482

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]ethanamine?
The IUPAC name of N-[(4-fluorophenyl)methyl]ethanamine (CID 4716481) is N-[(4-fluorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]ethanamine is CCNCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]ethanamine?
The InChIKey is CURFQQZYGVCIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN/c1-2-11-7-8-3-5-9(10)6-4-8/h3-6,11H,2,7H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]ethanamine?
N-[(4-fluorophenyl)methyl]ethanamine has a molecular weight of 153.20 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]ethanamine is sourced from PubChem (CID 4716481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).