N-ethyl-1-(3-fluorophenyl)-4-methylpent-3-en-2-amine

C14H20FN — CID 79189852

IUPACN-ethyl-1-(3-fluorophenyl)-4-methylpent-3-en-2-amine
SMILESCCNC(C=C(C)C)Cc1cccc(F)c1
InChIInChI=1S/C14H20FN/c1-4-16-14(8-11(2)3)10-12-6-5-7-13(15)9-12/h5-9,14,16H,4,10H2,1-3H3
InChIKeyUVBBCPXAFYWOTQ-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.31
Rot. Bonds5

About N-ethyl-1-(3-fluorophenyl)-4-methylpent-3-en-2-amine

N-ethyl-1-(3-fluorophenyl)-4-methylpent-3-en-2-amine (PubChem CID 79189852) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is N-ethyl-1-(3-fluorophenyl)-4-methylpent-3-en-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-fluorophenyl)-4-methylpent-3-en-2-amine
PubChem CID79189852
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC NameN-ethyl-1-(3-fluorophenyl)-4-methylpent-3-en-2-amine
SMILESCCNC(C=C(C)C)Cc1cccc(F)c1
InChIInChI=1S/C14H20FN/c1-4-16-14(8-11(2)3)10-12-6-5-7-13(15)9-12/h5-9,14,16H,4,10H2,1-3H3
InChIKeyUVBBCPXAFYWOTQ-UHFFFAOYSA-N
XLogP3.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-ethyl-1-(3-fluorophenyl)-4-methylpent-3-en-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chlorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine
CID 60819525
2-N-ethyl-3-(3-fluorophenyl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 79093303
N-ethyl-1-(3-fluorophenyl)-3-propylhexan-2-amine
CID 82987589
N-ethyl-1-(3-fluorophenyl)-3-methylheptan-2-amine
CID 114246287
1-(4-chloro-3-fluorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine
CID 107884568
N-ethyl-1-(3-fluorophenyl)-3-thiophen-3-ylpropan-2-amine
CID 62602151
N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-2-(3-fluorophenyl)ethanamine
CID 106878390
N-ethyl-1-(3-fluorophenyl)-4-methylhexan-2-amine
CID 62602319
1-(3-bromo-5-fluorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine
CID 79699790
N-ethyl-1-(3-fluorophenyl)-6-methylheptan-2-amine
CID 83161562
1-(2,3-dichlorophenyl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 63417255
N-ethyl-1-(3-fluorophenyl)-3-(furan-3-yl)propan-2-amine
CID 83175905

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-fluorophenyl)-4-methylpent-3-en-2-amine?
The IUPAC name of N-ethyl-1-(3-fluorophenyl)-4-methylpent-3-en-2-amine (CID 79189852) is N-ethyl-1-(3-fluorophenyl)-4-methylpent-3-en-2-amine.
What is the SMILES notation for N-ethyl-1-(3-fluorophenyl)-4-methylpent-3-en-2-amine?
The canonical SMILES for N-ethyl-1-(3-fluorophenyl)-4-methylpent-3-en-2-amine is CCNC(C=C(C)C)Cc1cccc(F)c1.
What is the InChIKey of N-ethyl-1-(3-fluorophenyl)-4-methylpent-3-en-2-amine?
The InChIKey is UVBBCPXAFYWOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-4-16-14(8-11(2)3)10-12-6-5-7-13(15)9-12/h5-9,14,16H,4,10H2,1-3H3.
What are the key properties of N-ethyl-1-(3-fluorophenyl)-4-methylpent-3-en-2-amine?
N-ethyl-1-(3-fluorophenyl)-4-methylpent-3-en-2-amine has a molecular weight of 221.32 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-fluorophenyl)-4-methylpent-3-en-2-amine is sourced from PubChem (CID 79189852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).