N-ethyl-N-(4-fluorophenyl)-2-(propylaminomethyl)aniline

C18H23FN2 — CID 63550661

IUPACN-ethyl-N-(4-fluorophenyl)-2-(propylaminomethyl)aniline
SMILESCCCNCc1ccccc1N(CC)c1ccc(F)cc1
InChIInChI=1S/C18H23FN2/c1-3-13-20-14-15-7-5-6-8-18(15)21(4-2)17-11-9-16(19)10-12-17/h5-12,20H,3-4,13-14H2,1-2H3
InChIKeyKSQMSSGUBXGNBC-UHFFFAOYSA-N
MW286.39 g/mol
LogP4.48
Rot. Bonds7

About N-ethyl-N-(4-fluorophenyl)-2-(propylaminomethyl)aniline

N-ethyl-N-(4-fluorophenyl)-2-(propylaminomethyl)aniline (PubChem CID 63550661) has the molecular formula C18H23FN2 and a molecular weight of 286.39 g/mol. Its IUPAC name is N-ethyl-N-(4-fluorophenyl)-2-(propylaminomethyl)aniline.

Molecular Properties

Compound NameN-ethyl-N-(4-fluorophenyl)-2-(propylaminomethyl)aniline
PubChem CID63550661
Molecular FormulaC18H23FN2
Molecular Weight286.39 g/mol
Exact Mass286.18
IUPAC NameN-ethyl-N-(4-fluorophenyl)-2-(propylaminomethyl)aniline
SMILESCCCNCc1ccccc1N(CC)c1ccc(F)cc1
InChIInChI=1S/C18H23FN2/c1-3-13-20-14-15-7-5-6-8-18(15)21(4-2)17-11-9-16(19)10-12-17/h5-12,20H,3-4,13-14H2,1-2H3
InChIKeyKSQMSSGUBXGNBC-UHFFFAOYSA-N
XLogP4.48
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-(4-methylphenyl)-2-(propylaminomethyl)aniline
CID 63551592
N-ethyl-N-(3-fluorophenyl)-2-(propylaminomethyl)aniline
CID 63551209
N-ethyl-2-fluoro-N-[4-(propylaminomethyl)phenyl]aniline
CID 63552706
N-(4-ethylphenyl)-N-methyl-2-(propylaminomethyl)aniline
CID 63551774
N-ethyl-3-methyl-N-phenyl-4-(propylaminomethyl)aniline
CID 63551327
N-ethyl-N-(4-fluorophenyl)-4-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62768912
N-ethyl-N-[2-(ethylaminomethyl)phenyl]-2-methylaniline
CID 43280687
N-ethyl-N-(4-fluorophenyl)-5-(propylaminomethyl)pyridin-2-amine
CID 62283567
N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 4716600
N-ethyl-4-(ethylaminomethyl)-N-(4-fluorophenyl)-3-methylaniline
CID 63553268
N-cyclopentyl-N-methyl-2-(propylaminomethyl)aniline
CID 43281753
N-[[2-[(5-fluoro-2-methylphenoxy)methyl]phenyl]methyl]propan-1-amine
CID 102986344

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-fluorophenyl)-2-(propylaminomethyl)aniline?
The IUPAC name of N-ethyl-N-(4-fluorophenyl)-2-(propylaminomethyl)aniline (CID 63550661) is N-ethyl-N-(4-fluorophenyl)-2-(propylaminomethyl)aniline.
What is the SMILES notation for N-ethyl-N-(4-fluorophenyl)-2-(propylaminomethyl)aniline?
The canonical SMILES for N-ethyl-N-(4-fluorophenyl)-2-(propylaminomethyl)aniline is CCCNCc1ccccc1N(CC)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-N-(4-fluorophenyl)-2-(propylaminomethyl)aniline?
The InChIKey is KSQMSSGUBXGNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2/c1-3-13-20-14-15-7-5-6-8-18(15)21(4-2)17-11-9-16(19)10-12-17/h5-12,20H,3-4,13-14H2,1-2H3.
What are the key properties of N-ethyl-N-(4-fluorophenyl)-2-(propylaminomethyl)aniline?
N-ethyl-N-(4-fluorophenyl)-2-(propylaminomethyl)aniline has a molecular weight of 286.39 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-fluorophenyl)-2-(propylaminomethyl)aniline is sourced from PubChem (CID 63550661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).