N-ethyl-2-fluoro-N-[4-(propylaminomethyl)phenyl]aniline

C18H23FN2 — CID 63552706

IUPACN-ethyl-2-fluoro-N-[4-(propylaminomethyl)phenyl]aniline
SMILESCCCNCc1ccc(N(CC)c2ccccc2F)cc1
InChIInChI=1S/C18H23FN2/c1-3-13-20-14-15-9-11-16(12-10-15)21(4-2)18-8-6-5-7-17(18)19/h5-12,20H,3-4,13-14H2,1-2H3
InChIKeyURNICQPBLZVALG-UHFFFAOYSA-N
MW286.39 g/mol
LogP4.48
Rot. Bonds7

About N-ethyl-2-fluoro-N-[4-(propylaminomethyl)phenyl]aniline

N-ethyl-2-fluoro-N-[4-(propylaminomethyl)phenyl]aniline (PubChem CID 63552706) has the molecular formula C18H23FN2 and a molecular weight of 286.39 g/mol. Its IUPAC name is N-ethyl-2-fluoro-N-[4-(propylaminomethyl)phenyl]aniline.

Molecular Properties

Compound NameN-ethyl-2-fluoro-N-[4-(propylaminomethyl)phenyl]aniline
PubChem CID63552706
Molecular FormulaC18H23FN2
Molecular Weight286.39 g/mol
Exact Mass286.18
IUPAC NameN-ethyl-2-fluoro-N-[4-(propylaminomethyl)phenyl]aniline
SMILESCCCNCc1ccc(N(CC)c2ccccc2F)cc1
InChIInChI=1S/C18H23FN2/c1-3-13-20-14-15-9-11-16(12-10-15)21(4-2)18-8-6-5-7-17(18)19/h5-12,20H,3-4,13-14H2,1-2H3
InChIKeyURNICQPBLZVALG-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-2-fluoro-N-[4-[(propan-2-ylamino)methyl]phenyl]aniline
CID 63552892
N-ethyl-N-(4-fluorophenyl)-2-(propylaminomethyl)aniline
CID 63550661
N-ethyl-N-(4-methylphenyl)-2-(propylaminomethyl)aniline
CID 63551592
N-benzyl-N-ethyl-2-fluoro-5-(propylaminomethyl)aniline
CID 84753514
N-ethyl-N-(3-fluorophenyl)-2-(propylaminomethyl)aniline
CID 63551209
N-ethyl-N-(4-fluorophenyl)-5-(propylaminomethyl)pyridin-2-amine
CID 62283567
N-[(4-ethylphenyl)methyl]propan-1-amine
CID 4716655
N-[[4-(2-fluorophenyl)sulfanylphenyl]methyl]propan-1-amine
CID 63806640
N-(4-ethylphenyl)-N-methyl-2-(propylaminomethyl)aniline
CID 63551774
4-fluoro-N-methyl-N-[[4-(propylaminomethyl)phenyl]methyl]aniline
CID 62436761
N-benzylpropan-1-amine;ethane;propane
CID 145164103
2-fluoro-N-(3-fluorophenyl)-N-methyl-4-(propylaminomethyl)aniline
CID 63551967

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-fluoro-N-[4-(propylaminomethyl)phenyl]aniline?
The IUPAC name of N-ethyl-2-fluoro-N-[4-(propylaminomethyl)phenyl]aniline (CID 63552706) is N-ethyl-2-fluoro-N-[4-(propylaminomethyl)phenyl]aniline.
What is the SMILES notation for N-ethyl-2-fluoro-N-[4-(propylaminomethyl)phenyl]aniline?
The canonical SMILES for N-ethyl-2-fluoro-N-[4-(propylaminomethyl)phenyl]aniline is CCCNCc1ccc(N(CC)c2ccccc2F)cc1.
What is the InChIKey of N-ethyl-2-fluoro-N-[4-(propylaminomethyl)phenyl]aniline?
The InChIKey is URNICQPBLZVALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2/c1-3-13-20-14-15-9-11-16(12-10-15)21(4-2)18-8-6-5-7-17(18)19/h5-12,20H,3-4,13-14H2,1-2H3.
What are the key properties of N-ethyl-2-fluoro-N-[4-(propylaminomethyl)phenyl]aniline?
N-ethyl-2-fluoro-N-[4-(propylaminomethyl)phenyl]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-2-fluoro-N-[4-(propylaminomethyl)phenyl]aniline is sourced from PubChem (CID 63552706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).