N-benzyl-N-ethyl-2-fluoro-5-(propylaminomethyl)aniline

C19H25FN2 — CID 84753514

IUPACN-benzyl-N-ethyl-2-fluoro-5-(propylaminomethyl)aniline
SMILESCCCNCc1ccc(F)c(N(CC)Cc2ccccc2)c1
InChIInChI=1S/C19H25FN2/c1-3-12-21-14-17-10-11-18(20)19(13-17)22(4-2)15-16-8-6-5-7-9-16/h5-11,13,21H,3-4,12,14-15H2,1-2H3
InChIKeyRTLMAQQMHGMFLO-UHFFFAOYSA-N
MW300.42 g/mol
LogP4.35
Rot. Bonds8

About N-benzyl-N-ethyl-2-fluoro-5-(propylaminomethyl)aniline

N-benzyl-N-ethyl-2-fluoro-5-(propylaminomethyl)aniline (PubChem CID 84753514) has the molecular formula C19H25FN2 and a molecular weight of 300.42 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-fluoro-5-(propylaminomethyl)aniline.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-fluoro-5-(propylaminomethyl)aniline
PubChem CID84753514
Molecular FormulaC19H25FN2
Molecular Weight300.42 g/mol
Exact Mass300.20
IUPAC NameN-benzyl-N-ethyl-2-fluoro-5-(propylaminomethyl)aniline
SMILESCCCNCc1ccc(F)c(N(CC)Cc2ccccc2)c1
InChIInChI=1S/C19H25FN2/c1-3-12-21-14-17-10-11-18(20)19(13-17)22(4-2)15-16-8-6-5-7-9-16/h5-11,13,21H,3-4,12,14-15H2,1-2H3
InChIKeyRTLMAQQMHGMFLO-UHFFFAOYSA-N
XLogP4.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 54.35
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

3-[[3-[benzyl(ethyl)amino]-4-fluorophenyl]methylamino]propan-1-ol
CID 84753512
N-benzyl-N-ethyl-4-(ethylaminomethyl)-2-fluoroaniline
CID 43281516
N,N-diethyl-2-fluoro-5-[[(2-fluorophenyl)methylamino]methyl]aniline
CID 84753702
2-[[3-(diethylamino)-4-fluorophenyl]methylamino]acetic acid
CID 84753673
N-ethyl-2-fluoro-N-[4-(propylaminomethyl)phenyl]aniline
CID 63552706
3-[[3-[ethyl(2-hydroxyethyl)amino]-4-fluorophenyl]methylamino]propan-1-ol
CID 84753642
5-(ethylaminomethyl)-2-fluoro-N,N-dipropylaniline
CID 84753347
3-[N-ethyl-5-(ethylaminomethyl)-2-fluoroanilino]propanoic acid
CID 84754002
N-butyl-N-ethyl-2-fluoro-5-[(prop-2-enylamino)methyl]aniline
CID 84753418
N-benzylpropan-1-amine;ethane;propane
CID 145164103
N-[[3-(dimethylamino)-4-fluorophenyl]methyl]-N',N'-diethylpropane-1,3-diamine
CID 84753829
N-[[2-fluoro-5-(propylaminomethyl)phenyl]methyl]-2-methyl-N-propan-2-ylpropan-1-amine
CID 107454847

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-fluoro-5-(propylaminomethyl)aniline?
The IUPAC name of N-benzyl-N-ethyl-2-fluoro-5-(propylaminomethyl)aniline (CID 84753514) is N-benzyl-N-ethyl-2-fluoro-5-(propylaminomethyl)aniline.
What is the SMILES notation for N-benzyl-N-ethyl-2-fluoro-5-(propylaminomethyl)aniline?
The canonical SMILES for N-benzyl-N-ethyl-2-fluoro-5-(propylaminomethyl)aniline is CCCNCc1ccc(F)c(N(CC)Cc2ccccc2)c1.
What is the InChIKey of N-benzyl-N-ethyl-2-fluoro-5-(propylaminomethyl)aniline?
The InChIKey is RTLMAQQMHGMFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2/c1-3-12-21-14-17-10-11-18(20)19(13-17)22(4-2)15-16-8-6-5-7-9-16/h5-11,13,21H,3-4,12,14-15H2,1-2H3.
What are the key properties of N-benzyl-N-ethyl-2-fluoro-5-(propylaminomethyl)aniline?
N-benzyl-N-ethyl-2-fluoro-5-(propylaminomethyl)aniline has a molecular weight of 300.42 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2-fluoro-5-(propylaminomethyl)aniline is sourced from PubChem (CID 84753514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).