2-[3-[1-(2-fluorophenyl)ethyl-methylamino]propyl]aniline

C18H23FN2 — CID 107274465

IUPAC2-[3-[1-(2-fluorophenyl)ethyl-methylamino]propyl]aniline
SMILESCC(c1ccccc1F)N(C)CCCc1ccccc1N
InChIInChI=1S/C18H23FN2/c1-14(16-10-4-5-11-17(16)19)21(2)13-7-9-15-8-3-6-12-18(15)20/h3-6,8,10-12,14H,7,9,13,20H2,1-2H3
InChIKeyQRVVFSQAMQFUDC-UHFFFAOYSA-N
MW286.39 g/mol
LogP4.03
Rot. Bonds6

About 2-[3-[1-(2-fluorophenyl)ethyl-methylamino]propyl]aniline

2-[3-[1-(2-fluorophenyl)ethyl-methylamino]propyl]aniline (PubChem CID 107274465) has the molecular formula C18H23FN2 and a molecular weight of 286.39 g/mol. Its IUPAC name is 2-[3-[1-(2-fluorophenyl)ethyl-methylamino]propyl]aniline.

Molecular Properties

Compound Name2-[3-[1-(2-fluorophenyl)ethyl-methylamino]propyl]aniline
PubChem CID107274465
Molecular FormulaC18H23FN2
Molecular Weight286.39 g/mol
Exact Mass286.18
IUPAC Name2-[3-[1-(2-fluorophenyl)ethyl-methylamino]propyl]aniline
SMILESCC(c1ccccc1F)N(C)CCCc1ccccc1N
InChIInChI=1S/C18H23FN2/c1-14(16-10-4-5-11-17(16)19)21(2)13-7-9-15-8-3-6-12-18(15)20/h3-6,8,10-12,14H,7,9,13,20H2,1-2H3
InChIKeyQRVVFSQAMQFUDC-UHFFFAOYSA-N
XLogP4.03
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[3-[1-(2-fluorophenyl)ethyl-methylamino]propyl]aniline 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

N'-[1-(2-fluorophenyl)ethyl]-N'-methylhexane-1,6-diamine
CID 62985248
2-[3-[methyl(pentan-2-yl)amino]propyl]aniline
CID 107274303
4-fluoro-2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]aniline
CID 62980353
1-N-[1-(2-fluorophenyl)ethyl]-1-N,4-N-dimethylpentane-1,4-diamine
CID 62977925
3-bromo-2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]aniline
CID 62980354
N-cyclopropyl-N'-[1-(2-fluorophenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 62986091
5-[1-(2-fluorophenyl)ethyl-methylamino]-2,2-dimethylpentanenitrile
CID 65257421
4-N-ethyl-1-N-[1-(2-fluorophenyl)ethyl]-1-N-methylhexane-1,4-diamine
CID 106799773
1-N-[1-(2-fluorophenyl)ethyl]-1-N-methyl-4-N-propylpentane-1,4-diamine
CID 62978094
2-[1-(2-fluorophenyl)ethyl-methylamino]acetic acid
CID 62979540
2-[3-[bis(3-methylbutyl)amino]propyl]aniline
CID 107870230
N'-[1-(2-fluorophenyl)ethyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62985101

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(2-fluorophenyl)ethyl-methylamino]propyl]aniline?
The IUPAC name of 2-[3-[1-(2-fluorophenyl)ethyl-methylamino]propyl]aniline (CID 107274465) is 2-[3-[1-(2-fluorophenyl)ethyl-methylamino]propyl]aniline.
What is the SMILES notation for 2-[3-[1-(2-fluorophenyl)ethyl-methylamino]propyl]aniline?
The canonical SMILES for 2-[3-[1-(2-fluorophenyl)ethyl-methylamino]propyl]aniline is CC(c1ccccc1F)N(C)CCCc1ccccc1N.
What is the InChIKey of 2-[3-[1-(2-fluorophenyl)ethyl-methylamino]propyl]aniline?
The InChIKey is QRVVFSQAMQFUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2/c1-14(16-10-4-5-11-17(16)19)21(2)13-7-9-15-8-3-6-12-18(15)20/h3-6,8,10-12,14H,7,9,13,20H2,1-2H3.
What are the key properties of 2-[3-[1-(2-fluorophenyl)ethyl-methylamino]propyl]aniline?
2-[3-[1-(2-fluorophenyl)ethyl-methylamino]propyl]aniline has a molecular weight of 286.39 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(2-fluorophenyl)ethyl-methylamino]propyl]aniline is sourced from PubChem (CID 107274465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).