2-fluoro-N-methyl-N-(2-methylbutyl)-4-[1-(propylamino)ethyl]aniline

C17H29FN2 — CID 43295957

IUPAC2-fluoro-N-methyl-N-(2-methylbutyl)-4-[1-(propylamino)ethyl]aniline
SMILESCCCNC(C)c1ccc(N(C)CC(C)CC)c(F)c1
InChIInChI=1S/C17H29FN2/c1-6-10-19-14(4)15-8-9-17(16(18)11-15)20(5)12-13(3)7-2/h8-9,11,13-14,19H,6-7,10,12H2,1-5H3
InChIKeyDTKZDMCQUDFQQG-UHFFFAOYSA-N
MW280.43 g/mol
LogP4.37
Rot. Bonds8

About 2-fluoro-N-methyl-N-(2-methylbutyl)-4-[1-(propylamino)ethyl]aniline

2-fluoro-N-methyl-N-(2-methylbutyl)-4-[1-(propylamino)ethyl]aniline (PubChem CID 43295957) has the molecular formula C17H29FN2 and a molecular weight of 280.43 g/mol. Its IUPAC name is 2-fluoro-N-methyl-N-(2-methylbutyl)-4-[1-(propylamino)ethyl]aniline.

Molecular Properties

Compound Name2-fluoro-N-methyl-N-(2-methylbutyl)-4-[1-(propylamino)ethyl]aniline
PubChem CID43295957
Molecular FormulaC17H29FN2
Molecular Weight280.43 g/mol
Exact Mass280.23
IUPAC Name2-fluoro-N-methyl-N-(2-methylbutyl)-4-[1-(propylamino)ethyl]aniline
SMILESCCCNC(C)c1ccc(N(C)CC(C)CC)c(F)c1
InChIInChI=1S/C17H29FN2/c1-6-10-19-14(4)15-8-9-17(16(18)11-15)20(5)12-13(3)7-2/h8-9,11,13-14,19H,6-7,10,12H2,1-5H3
InChIKeyDTKZDMCQUDFQQG-UHFFFAOYSA-N
XLogP4.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.43
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-methyl-N-propyl-4-[1-(propylamino)ethyl]aniline
CID 43284666
2-fluoro-N-(furan-2-ylmethyl)-N-methyl-4-[1-(propylamino)ethyl]aniline
CID 43526990
N-[1-(3-fluoro-4-methylphenyl)ethyl]propan-1-amine
CID 60820092
2-fluoro-N-methyl-N-(2-methylbutyl)-4-[(propan-2-ylamino)methyl]aniline
CID 43296099
N-[1-(4-ethylsulfanyl-3-fluorophenyl)ethyl]propan-1-amine
CID 43286080
2-fluoro-4-[(1R)-1-(propylamino)ethyl]phenol
CID 29080220
N-(2-ethoxyethyl)-N-ethyl-2-fluoro-4-[1-(propylamino)ethyl]aniline
CID 63697582
N-[1-(3-fluoro-4-propan-2-ylsulfanylphenyl)ethyl]propan-1-amine
CID 60884515
4-[1-(ethylamino)ethyl]-2-fluoro-N-(2-methylpropyl)-N-propan-2-ylaniline
CID 63532693
N-benzyl-4-[1-(ethylamino)ethyl]-2-fluoro-N-methylaniline
CID 43284102
2-chloro-N-(2-methylpropyl)-N-propan-2-yl-4-[1-(propylamino)ethyl]aniline
CID 63533144
3-fluoro-4-[methyl(2-methylbutyl)amino]benzenecarbothioamide
CID 43657911

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-N-(2-methylbutyl)-4-[1-(propylamino)ethyl]aniline?
The IUPAC name of 2-fluoro-N-methyl-N-(2-methylbutyl)-4-[1-(propylamino)ethyl]aniline (CID 43295957) is 2-fluoro-N-methyl-N-(2-methylbutyl)-4-[1-(propylamino)ethyl]aniline.
What is the SMILES notation for 2-fluoro-N-methyl-N-(2-methylbutyl)-4-[1-(propylamino)ethyl]aniline?
The canonical SMILES for 2-fluoro-N-methyl-N-(2-methylbutyl)-4-[1-(propylamino)ethyl]aniline is CCCNC(C)c1ccc(N(C)CC(C)CC)c(F)c1.
What is the InChIKey of 2-fluoro-N-methyl-N-(2-methylbutyl)-4-[1-(propylamino)ethyl]aniline?
The InChIKey is DTKZDMCQUDFQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29FN2/c1-6-10-19-14(4)15-8-9-17(16(18)11-15)20(5)12-13(3)7-2/h8-9,11,13-14,19H,6-7,10,12H2,1-5H3.
What are the key properties of 2-fluoro-N-methyl-N-(2-methylbutyl)-4-[1-(propylamino)ethyl]aniline?
2-fluoro-N-methyl-N-(2-methylbutyl)-4-[1-(propylamino)ethyl]aniline has a molecular weight of 280.43 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-N-(2-methylbutyl)-4-[1-(propylamino)ethyl]aniline is sourced from PubChem (CID 43295957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).