3-[[2-(2-fluorophenyl)ethylamino]methyl]aniline

C15H17FN2 — CID 115211996

IUPAC3-[[2-(2-fluorophenyl)ethylamino]methyl]aniline
SMILESNc1cccc(CNCCc2ccccc2F)c1
InChIInChI=1S/C15H17FN2/c16-15-7-2-1-5-13(15)8-9-18-11-12-4-3-6-14(17)10-12/h1-7,10,18H,8-9,11,17H2
InChIKeyYHWKYMVMKCYQIM-UHFFFAOYSA-N
MW244.31 g/mol
LogP2.74
Rot. Bonds5

About 3-[[2-(2-fluorophenyl)ethylamino]methyl]aniline

3-[[2-(2-fluorophenyl)ethylamino]methyl]aniline (PubChem CID 115211996) has the molecular formula C15H17FN2 and a molecular weight of 244.31 g/mol. Its IUPAC name is 3-[[2-(2-fluorophenyl)ethylamino]methyl]aniline.

Molecular Properties

Compound Name3-[[2-(2-fluorophenyl)ethylamino]methyl]aniline
PubChem CID115211996
Molecular FormulaC15H17FN2
Molecular Weight244.31 g/mol
Exact Mass244.14
IUPAC Name3-[[2-(2-fluorophenyl)ethylamino]methyl]aniline
SMILESNc1cccc(CNCCc2ccccc2F)c1
InChIInChI=1S/C15H17FN2/c16-15-7-2-1-5-13(15)8-9-18-11-12-4-3-6-14(17)10-12/h1-7,10,18H,8-9,11,17H2
InChIKeyYHWKYMVMKCYQIM-UHFFFAOYSA-N
XLogP2.74
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(3,4-difluorophenyl)ethylamino]methyl]aniline
CID 115211983
2-(2-fluorophenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine
CID 4718442
N-[(3-cyclopentyloxyphenyl)methyl]-2-(2-fluorophenyl)ethanamine
CID 39454348
2-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]ethanamine;hydrochloride
CID 17294165
N-[(3-bromo-4-chlorophenyl)methyl]-2-(2-fluorophenyl)ethanamine
CID 83235359
3-[[(2,4-difluorophenyl)methylamino]methyl]aniline
CID 115211908
N-[[4-(difluoromethyl)phenyl]methyl]-2-(2-fluorophenyl)ethanamine
CID 115523424
N'-[3-[(3-aminophenyl)methylamino]propyl]-N-(3-aminopropyl)butane-1,4-diamine
CID 167063378
N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-(2-fluorophenyl)ethanamine
CID 4718513
N-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-(2-fluorophenyl)ethanamine
CID 4722411
N-[(4-chloro-2-fluorophenyl)methyl]-2-(2-fluorophenyl)ethanamine
CID 114841353
N-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-(2-fluorophenyl)ethanamine;hydrochloride
CID 17294158

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-fluorophenyl)ethylamino]methyl]aniline?
The IUPAC name of 3-[[2-(2-fluorophenyl)ethylamino]methyl]aniline (CID 115211996) is 3-[[2-(2-fluorophenyl)ethylamino]methyl]aniline.
What is the SMILES notation for 3-[[2-(2-fluorophenyl)ethylamino]methyl]aniline?
The canonical SMILES for 3-[[2-(2-fluorophenyl)ethylamino]methyl]aniline is Nc1cccc(CNCCc2ccccc2F)c1.
What is the InChIKey of 3-[[2-(2-fluorophenyl)ethylamino]methyl]aniline?
The InChIKey is YHWKYMVMKCYQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2/c16-15-7-2-1-5-13(15)8-9-18-11-12-4-3-6-14(17)10-12/h1-7,10,18H,8-9,11,17H2.
What are the key properties of 3-[[2-(2-fluorophenyl)ethylamino]methyl]aniline?
3-[[2-(2-fluorophenyl)ethylamino]methyl]aniline has a molecular weight of 244.31 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-fluorophenyl)ethylamino]methyl]aniline is sourced from PubChem (CID 115211996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).