ethane;3-fluoro-N-(1H-imidazol-5-ylmethyl)-2-(methylaminomethyl)-N-propan-2-ylaniline

C17H27FN4 — CID 178123160

IUPACethane;3-fluoro-N-(1H-imidazol-5-ylmethyl)-2-(methylaminomethyl)-N-propan-2-ylaniline
SMILESCC.CNCc1c(F)cccc1N(Cc1cnc[nH]1)C(C)C
InChIInChI=1S/C15H21FN4.C2H6/c1-11(2)20(9-12-7-18-10-19-12)15-6-4-5-14(16)13(15)8-17-3;1-2/h4-7,10-11,17H,8-9H2,1-3H3,(H,18,19);1-2H3
InChIKeyOISGHTKMDSDQRS-UHFFFAOYSA-N
MW306.43 g/mol
LogP3.71
Rot. Bonds6

About ethane;3-fluoro-N-(1H-imidazol-5-ylmethyl)-2-(methylaminomethyl)-N-propan-2-ylaniline

ethane;3-fluoro-N-(1H-imidazol-5-ylmethyl)-2-(methylaminomethyl)-N-propan-2-ylaniline (PubChem CID 178123160) has the molecular formula C17H27FN4 and a molecular weight of 306.43 g/mol. Its IUPAC name is ethane;3-fluoro-N-(1H-imidazol-5-ylmethyl)-2-(methylaminomethyl)-N-propan-2-ylaniline.

Molecular Properties

Compound Nameethane;3-fluoro-N-(1H-imidazol-5-ylmethyl)-2-(methylaminomethyl)-N-propan-2-ylaniline
PubChem CID178123160
Molecular FormulaC17H27FN4
Molecular Weight306.43 g/mol
Exact Mass306.22
IUPAC Nameethane;3-fluoro-N-(1H-imidazol-5-ylmethyl)-2-(methylaminomethyl)-N-propan-2-ylaniline
SMILESCC.CNCc1c(F)cccc1N(Cc1cnc[nH]1)C(C)C
InChIInChI=1S/C15H21FN4.C2H6/c1-11(2)20(9-12-7-18-10-19-12)15-6-4-5-14(16)13(15)8-17-3;1-2/h4-7,10-11,17H,8-9H2,1-3H3,(H,18,19);1-2H3
InChIKeyOISGHTKMDSDQRS-UHFFFAOYSA-N
XLogP3.71
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-difluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine
CID 114058190
1-(1H-imidazol-5-yl)-N-methylmethanamine
CID 20675588
N-(1H-imidazol-5-ylmethyl)-4-phenoxy-N-propan-2-ylaniline
CID 59728067
2-(aminomethyl)-N-benzyl-3-fluoro-N-propan-2-ylaniline
CID 79515468
N-(1H-imidazol-5-ylmethyl)-3,5-dimethoxy-N-propan-2-ylaniline
CID 59728179
4-bromo-3-chloro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylaniline
CID 24948466
N-(2-ethoxyethyl)-N-ethyl-3-fluoro-2-(methylaminomethyl)aniline
CID 114065673
4-chloro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-amine
CID 59728197
N-ethyl-3-fluoro-2-[1-(methylamino)ethyl]-N-propan-2-ylaniline
CID 43284569
1-[2-fluoro-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]-N-methylmethanamine
CID 114066362
1-(2,5-difluorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 62762989
N-[(2,6-difluorophenyl)methyl]butan-2-amine
CID 43177297

Frequently Asked Questions

What is the IUPAC name of ethane;3-fluoro-N-(1H-imidazol-5-ylmethyl)-2-(methylaminomethyl)-N-propan-2-ylaniline?
The IUPAC name of ethane;3-fluoro-N-(1H-imidazol-5-ylmethyl)-2-(methylaminomethyl)-N-propan-2-ylaniline (CID 178123160) is ethane;3-fluoro-N-(1H-imidazol-5-ylmethyl)-2-(methylaminomethyl)-N-propan-2-ylaniline.
What is the SMILES notation for ethane;3-fluoro-N-(1H-imidazol-5-ylmethyl)-2-(methylaminomethyl)-N-propan-2-ylaniline?
The canonical SMILES for ethane;3-fluoro-N-(1H-imidazol-5-ylmethyl)-2-(methylaminomethyl)-N-propan-2-ylaniline is CC.CNCc1c(F)cccc1N(Cc1cnc[nH]1)C(C)C.
What is the InChIKey of ethane;3-fluoro-N-(1H-imidazol-5-ylmethyl)-2-(methylaminomethyl)-N-propan-2-ylaniline?
The InChIKey is OISGHTKMDSDQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4.C2H6/c1-11(2)20(9-12-7-18-10-19-12)15-6-4-5-14(16)13(15)8-17-3;1-2/h4-7,10-11,17H,8-9H2,1-3H3,(H,18,19);1-2H3.
What are the key properties of ethane;3-fluoro-N-(1H-imidazol-5-ylmethyl)-2-(methylaminomethyl)-N-propan-2-ylaniline?
ethane;3-fluoro-N-(1H-imidazol-5-ylmethyl)-2-(methylaminomethyl)-N-propan-2-ylaniline has a molecular weight of 306.43 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-fluoro-N-(1H-imidazol-5-ylmethyl)-2-(methylaminomethyl)-N-propan-2-ylaniline is sourced from PubChem (CID 178123160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).