N-ethyl-3-(4-fluorophenyl)propan-1-amine

C11H16FN — CID 58997646

IUPACN-ethyl-3-(4-fluorophenyl)propan-1-amine
SMILESCCNCCCc1ccc(F)cc1
InChIInChI=1S/C11H16FN/c1-2-13-9-3-4-10-5-7-11(12)8-6-10/h5-8,13H,2-4,9H2,1H3
InChIKeyZNCDYPWYUDQNSV-UHFFFAOYSA-N
MW181.25 g/mol
LogP2.37
Rot. Bonds5

About N-ethyl-3-(4-fluorophenyl)propan-1-amine

N-ethyl-3-(4-fluorophenyl)propan-1-amine (PubChem CID 58997646) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is N-ethyl-3-(4-fluorophenyl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(4-fluorophenyl)propan-1-amine
PubChem CID58997646
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC NameN-ethyl-3-(4-fluorophenyl)propan-1-amine
SMILESCCNCCCc1ccc(F)cc1
InChIInChI=1S/C11H16FN/c1-2-13-9-3-4-10-5-7-11(12)8-6-10/h5-8,13H,2-4,9H2,1H3
InChIKeyZNCDYPWYUDQNSV-UHFFFAOYSA-N
XLogP2.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-(4-fluorophenyl)-N-propylhexan-1-amine
CID 65308488
5-(4-fluorophenyl)-N-propylpentan-1-amine
CID 65300450
N-ethyl-4-(4-propylphenyl)butan-1-amine
CID 65305630
N-ethyl-2-(4-fluorophenyl)ethanamine;3-phenylpropan-1-amine
CID 142832087
N-ethyl-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propan-1-amine
CID 63278795
3-(ethylamino)-N-[2-(4-fluorophenyl)ethyl]propane-1-sulfonamide
CID 106049134
N-[2-(4-fluorophenyl)ethyl]heptan-1-amine
CID 43129180
1-fluoro-4-propylbenzene
CID 2737505
N-propyl-3-(4-propylphenyl)propan-1-amine
CID 64503973
N-ethyl-N'-[3-(4-methoxyphenyl)propyl]propane-1,3-diamine
CID 113410167
N-ethyl-3-(4-methylsulfonylphenyl)propan-1-amine
CID 98015477
N-[(4-fluorophenyl)methyl]ethanamine
CID 4716481

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(4-fluorophenyl)propan-1-amine?
The IUPAC name of N-ethyl-3-(4-fluorophenyl)propan-1-amine (CID 58997646) is N-ethyl-3-(4-fluorophenyl)propan-1-amine.
What is the SMILES notation for N-ethyl-3-(4-fluorophenyl)propan-1-amine?
The canonical SMILES for N-ethyl-3-(4-fluorophenyl)propan-1-amine is CCNCCCc1ccc(F)cc1.
What is the InChIKey of N-ethyl-3-(4-fluorophenyl)propan-1-amine?
The InChIKey is ZNCDYPWYUDQNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN/c1-2-13-9-3-4-10-5-7-11(12)8-6-10/h5-8,13H,2-4,9H2,1H3.
What are the key properties of N-ethyl-3-(4-fluorophenyl)propan-1-amine?
N-ethyl-3-(4-fluorophenyl)propan-1-amine has a molecular weight of 181.25 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(4-fluorophenyl)propan-1-amine is sourced from PubChem (CID 58997646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).