4-(2-aminobutyl)-N-(3-fluorophenyl)-N,2-dimethylaniline

C18H23FN2 — CID 63817754

IUPAC4-(2-aminobutyl)-N-(3-fluorophenyl)-N,2-dimethylaniline
SMILESCCC(N)Cc1ccc(N(C)c2cccc(F)c2)c(C)c1
InChIInChI=1S/C18H23FN2/c1-4-16(20)11-14-8-9-18(13(2)10-14)21(3)17-7-5-6-15(19)12-17/h5-10,12,16H,4,11,20H2,1-3H3
InChIKeyZACBPBQJTJCHSG-UHFFFAOYSA-N
MW286.39 g/mol
LogP4.18
Rot. Bonds5

About 4-(2-aminobutyl)-N-(3-fluorophenyl)-N,2-dimethylaniline

4-(2-aminobutyl)-N-(3-fluorophenyl)-N,2-dimethylaniline (PubChem CID 63817754) has the molecular formula C18H23FN2 and a molecular weight of 286.39 g/mol. Its IUPAC name is 4-(2-aminobutyl)-N-(3-fluorophenyl)-N,2-dimethylaniline.

Molecular Properties

Compound Name4-(2-aminobutyl)-N-(3-fluorophenyl)-N,2-dimethylaniline
PubChem CID63817754
Molecular FormulaC18H23FN2
Molecular Weight286.39 g/mol
Exact Mass286.18
IUPAC Name4-(2-aminobutyl)-N-(3-fluorophenyl)-N,2-dimethylaniline
SMILESCCC(N)Cc1ccc(N(C)c2cccc(F)c2)c(C)c1
InChIInChI=1S/C18H23FN2/c1-4-16(20)11-14-8-9-18(13(2)10-14)21(3)17-7-5-6-15(19)12-17/h5-10,12,16H,4,11,20H2,1-3H3
InChIKeyZACBPBQJTJCHSG-UHFFFAOYSA-N
XLogP4.18
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(2-aminobutyl)phenyl]-3-fluoro-N-methylaniline
CID 63817579
4-(2-aminobutyl)-N,2-dimethyl-N-(2-methylphenyl)aniline
CID 63817569
2-(1-aminopropyl)-N-(3-fluorophenyl)-N-methylaniline
CID 112678084
4-(2-aminobutyl)-N-(1-methoxypropan-2-yl)-N,2-dimethylaniline
CID 63816309
N-[4-(2-aminopropyl)phenyl]-3-fluoro-N-methylaniline
CID 63817401
4-(2-aminobutyl)-N-butan-2-yl-N-ethyl-2-methylaniline
CID 63785303
5-(2-aminobutyl)-N-ethyl-N-(3-fluorophenyl)pyridin-2-amine
CID 80637193
1-[4-(2,4-difluorophenoxy)-3-methylphenyl]butan-2-amine
CID 63817149
4-(2-aminoethyl)-N-ethyl-N-(3-fluorophenyl)-2-methylaniline
CID 63786177
4-(3-fluoro-N-methylanilino)-3-methylbenzoic acid
CID 62120793
1-[3-(5-fluoro-2-methylphenoxy)phenyl]butan-2-amine
CID 102990384
4-(2-aminobutyl)-N-(cyclobutylmethyl)-N,2-dimethylaniline
CID 63794503

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminobutyl)-N-(3-fluorophenyl)-N,2-dimethylaniline?
The IUPAC name of 4-(2-aminobutyl)-N-(3-fluorophenyl)-N,2-dimethylaniline (CID 63817754) is 4-(2-aminobutyl)-N-(3-fluorophenyl)-N,2-dimethylaniline.
What is the SMILES notation for 4-(2-aminobutyl)-N-(3-fluorophenyl)-N,2-dimethylaniline?
The canonical SMILES for 4-(2-aminobutyl)-N-(3-fluorophenyl)-N,2-dimethylaniline is CCC(N)Cc1ccc(N(C)c2cccc(F)c2)c(C)c1.
What is the InChIKey of 4-(2-aminobutyl)-N-(3-fluorophenyl)-N,2-dimethylaniline?
The InChIKey is ZACBPBQJTJCHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2/c1-4-16(20)11-14-8-9-18(13(2)10-14)21(3)17-7-5-6-15(19)12-17/h5-10,12,16H,4,11,20H2,1-3H3.
What are the key properties of 4-(2-aminobutyl)-N-(3-fluorophenyl)-N,2-dimethylaniline?
4-(2-aminobutyl)-N-(3-fluorophenyl)-N,2-dimethylaniline has a molecular weight of 286.39 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminobutyl)-N-(3-fluorophenyl)-N,2-dimethylaniline is sourced from PubChem (CID 63817754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).