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

C15H25FN2 — CID 43284666

IUPAC2-fluoro-N-methyl-N-propyl-4-[1-(propylamino)ethyl]aniline
SMILESCCCNC(C)c1ccc(N(C)CCC)c(F)c1
InChIInChI=1S/C15H25FN2/c1-5-9-17-12(3)13-7-8-15(14(16)11-13)18(4)10-6-2/h7-8,11-12,17H,5-6,9-10H2,1-4H3
InChIKeyUBLBXCXJOJHJJB-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.73
Rot. Bonds7

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

2-fluoro-N-methyl-N-propyl-4-[1-(propylamino)ethyl]aniline (PubChem CID 43284666) has the molecular formula C15H25FN2 and a molecular weight of 252.38 g/mol. Its IUPAC name is 2-fluoro-N-methyl-N-propyl-4-[1-(propylamino)ethyl]aniline.

Molecular Properties

Compound Name2-fluoro-N-methyl-N-propyl-4-[1-(propylamino)ethyl]aniline
PubChem CID43284666
Molecular FormulaC15H25FN2
Molecular Weight252.38 g/mol
Exact Mass252.20
IUPAC Name2-fluoro-N-methyl-N-propyl-4-[1-(propylamino)ethyl]aniline
SMILESCCCNC(C)c1ccc(N(C)CCC)c(F)c1
InChIInChI=1S/C15H25FN2/c1-5-9-17-12(3)13-7-8-15(14(16)11-13)18(4)10-6-2/h7-8,11-12,17H,5-6,9-10H2,1-4H3
InChIKeyUBLBXCXJOJHJJB-UHFFFAOYSA-N
XLogP3.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.73
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-(2-methylbutyl)-4-[1-(propylamino)ethyl]aniline
CID 43295957
(1R)-1-[3-fluoro-4-[methyl(propyl)amino]phenyl]ethanol
CID 63370676
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
N-(2-ethoxyethyl)-N-ethyl-2-fluoro-4-[1-(propylamino)ethyl]aniline
CID 63697582
2-fluoro-4-[(1R)-1-(propylamino)ethyl]phenol
CID 29080220
N-[1-(4-ethylsulfanyl-3-fluorophenyl)ethyl]propan-1-amine
CID 43286080
N-[1-(3-fluoro-4-propan-2-ylsulfanylphenyl)ethyl]propan-1-amine
CID 60884515
N-benzyl-4-[1-(ethylamino)ethyl]-2-fluoro-N-methylaniline
CID 43284102
(1S)-1-[3-fluoro-4-[methyl(pentyl)amino]phenyl]ethanol
CID 78939586
2-bromo-N-propan-2-yl-N-propyl-4-[1-(propylamino)ethyl]aniline
CID 63533861
5-[2-bromo-N-methyl-4-[1-(propylamino)ethyl]anilino]pentan-1-ol
CID 107200490

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-N-propyl-4-[1-(propylamino)ethyl]aniline?
The IUPAC name of 2-fluoro-N-methyl-N-propyl-4-[1-(propylamino)ethyl]aniline (CID 43284666) is 2-fluoro-N-methyl-N-propyl-4-[1-(propylamino)ethyl]aniline.
What is the SMILES notation for 2-fluoro-N-methyl-N-propyl-4-[1-(propylamino)ethyl]aniline?
The canonical SMILES for 2-fluoro-N-methyl-N-propyl-4-[1-(propylamino)ethyl]aniline is CCCNC(C)c1ccc(N(C)CCC)c(F)c1.
What is the InChIKey of 2-fluoro-N-methyl-N-propyl-4-[1-(propylamino)ethyl]aniline?
The InChIKey is UBLBXCXJOJHJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2/c1-5-9-17-12(3)13-7-8-15(14(16)11-13)18(4)10-6-2/h7-8,11-12,17H,5-6,9-10H2,1-4H3.
What are the key properties of 2-fluoro-N-methyl-N-propyl-4-[1-(propylamino)ethyl]aniline?
2-fluoro-N-methyl-N-propyl-4-[1-(propylamino)ethyl]aniline has a molecular weight of 252.38 g/mol, XLogP of 3.73, 7 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-propyl-4-[1-(propylamino)ethyl]aniline is sourced from PubChem (CID 43284666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).