2-fluoro-1-N-methyl-4-N-(1-phenylethyl)-1-N-propan-2-ylbenzene-1,4-diamine

C18H23FN2 — CID 43679351

IUPAC2-fluoro-1-N-methyl-4-N-(1-phenylethyl)-1-N-propan-2-ylbenzene-1,4-diamine
SMILESCC(Nc1ccc(N(C)C(C)C)c(F)c1)c1ccccc1
InChIInChI=1S/C18H23FN2/c1-13(2)21(4)18-11-10-16(12-17(18)19)20-14(3)15-8-6-5-7-9-15/h5-14,20H,1-4H3
InChIKeyIDQOLBVQEJUKSN-UHFFFAOYSA-N
MW286.39 g/mol
LogP4.84
Rot. Bonds5

About 2-fluoro-1-N-methyl-4-N-(1-phenylethyl)-1-N-propan-2-ylbenzene-1,4-diamine

2-fluoro-1-N-methyl-4-N-(1-phenylethyl)-1-N-propan-2-ylbenzene-1,4-diamine (PubChem CID 43679351) has the molecular formula C18H23FN2 and a molecular weight of 286.39 g/mol. Its IUPAC name is 2-fluoro-1-N-methyl-4-N-(1-phenylethyl)-1-N-propan-2-ylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-fluoro-1-N-methyl-4-N-(1-phenylethyl)-1-N-propan-2-ylbenzene-1,4-diamine
PubChem CID43679351
Molecular FormulaC18H23FN2
Molecular Weight286.39 g/mol
Exact Mass286.18
IUPAC Name2-fluoro-1-N-methyl-4-N-(1-phenylethyl)-1-N-propan-2-ylbenzene-1,4-diamine
SMILESCC(Nc1ccc(N(C)C(C)C)c(F)c1)c1ccccc1
InChIInChI=1S/C18H23FN2/c1-13(2)21(4)18-11-10-16(12-17(18)19)20-14(3)15-8-6-5-7-9-15/h5-14,20H,1-4H3
InChIKeyIDQOLBVQEJUKSN-UHFFFAOYSA-N
XLogP4.84
TPSA15.27 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 ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-benzyl-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine
CID 43679328
2-fluoro-4-N-(1-methoxypropan-2-yl)-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine
CID 62536605
4-N-(1-cyclopropylethyl)-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine
CID 43679348
2-fluoro-1-N-methyl-1-N-propan-2-yl-4-N-[1-(1,3-thiazol-2-yl)ethyl]benzene-1,4-diamine
CID 64993719
2-[3-fluoro-4-[methyl(propan-2-yl)amino]anilino]butanoic acid
CID 115352494
2-fluoro-1-N-methyl-4-N-(5-methylheptan-3-yl)-1-N-propan-2-ylbenzene-1,4-diamine
CID 43679336
4-fluoro-N-(1-phenylethyl)-3-(trifluoromethyl)aniline
CID 63455608
3,5-difluoro-N-(1-phenylethyl)aniline
CID 43195985
4-N-(2-ethylbutyl)-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine
CID 43679319
3,4-dichloro-N-(1-phenylethyl)aniline
CID 43082168
2-fluoro-1-N-methyl-1-N-propan-2-yl-4-N-(3-propan-2-ylcyclobutyl)benzene-1,4-diamine
CID 103561131
1-chloro-N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]methanesulfonamide
CID 55244680

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-N-methyl-4-N-(1-phenylethyl)-1-N-propan-2-ylbenzene-1,4-diamine?
The IUPAC name of 2-fluoro-1-N-methyl-4-N-(1-phenylethyl)-1-N-propan-2-ylbenzene-1,4-diamine (CID 43679351) is 2-fluoro-1-N-methyl-4-N-(1-phenylethyl)-1-N-propan-2-ylbenzene-1,4-diamine.
What is the SMILES notation for 2-fluoro-1-N-methyl-4-N-(1-phenylethyl)-1-N-propan-2-ylbenzene-1,4-diamine?
The canonical SMILES for 2-fluoro-1-N-methyl-4-N-(1-phenylethyl)-1-N-propan-2-ylbenzene-1,4-diamine is CC(Nc1ccc(N(C)C(C)C)c(F)c1)c1ccccc1.
What is the InChIKey of 2-fluoro-1-N-methyl-4-N-(1-phenylethyl)-1-N-propan-2-ylbenzene-1,4-diamine?
The InChIKey is IDQOLBVQEJUKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2/c1-13(2)21(4)18-11-10-16(12-17(18)19)20-14(3)15-8-6-5-7-9-15/h5-14,20H,1-4H3.
What are the key properties of 2-fluoro-1-N-methyl-4-N-(1-phenylethyl)-1-N-propan-2-ylbenzene-1,4-diamine?
2-fluoro-1-N-methyl-4-N-(1-phenylethyl)-1-N-propan-2-ylbenzene-1,4-diamine has a molecular weight of 286.39 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-N-methyl-4-N-(1-phenylethyl)-1-N-propan-2-ylbenzene-1,4-diamine is sourced from PubChem (CID 43679351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).