N-[[4-[(Z)-2,3-dichloroprop-2-enoxy]-3-fluorophenyl]methyl]-2-methylpropan-2-amine

C14H18Cl2FNO — CID 107688427

IUPACN-[[4-[(Z)-2,3-dichloroprop-2-enoxy]-3-fluorophenyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccc(OC/C(Cl)=C/Cl)c(F)c1
InChIInChI=1S/C14H18Cl2FNO/c1-14(2,3)18-8-10-4-5-13(12(17)6-10)19-9-11(16)7-15/h4-7,18H,8-9H2,1-3H3/b11-7-
InChIKeySXARHFFVPYLEFM-XFFZJAGNSA-N
MW306.21 g/mol
LogP4.41
Rot. Bonds5

About N-[[4-[(Z)-2,3-dichloroprop-2-enoxy]-3-fluorophenyl]methyl]-2-methylpropan-2-amine

N-[[4-[(Z)-2,3-dichloroprop-2-enoxy]-3-fluorophenyl]methyl]-2-methylpropan-2-amine (PubChem CID 107688427) has the molecular formula C14H18Cl2FNO and a molecular weight of 306.21 g/mol. Its IUPAC name is N-[[4-[(Z)-2,3-dichloroprop-2-enoxy]-3-fluorophenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-[(Z)-2,3-dichloroprop-2-enoxy]-3-fluorophenyl]methyl]-2-methylpropan-2-amine
PubChem CID107688427
Molecular FormulaC14H18Cl2FNO
Molecular Weight306.21 g/mol
Exact Mass305.07
IUPAC NameN-[[4-[(Z)-2,3-dichloroprop-2-enoxy]-3-fluorophenyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccc(OC/C(Cl)=C/Cl)c(F)c1
InChIInChI=1S/C14H18Cl2FNO/c1-14(2,3)18-8-10-4-5-13(12(17)6-10)19-9-11(16)7-15/h4-7,18H,8-9H2,1-3H3/b11-7-
InChIKeySXARHFFVPYLEFM-XFFZJAGNSA-N
XLogP4.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-2-methylbutan-2-ol
CID 107688569
2-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-N-prop-2-ynylacetamide
CID 107688451
N-[(3-fluoro-4-phenylmethoxyphenyl)methyl]-2-methylpropan-2-amine
CID 59768400
3-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]propane-1,2-diol
CID 107688548
3-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-1,1,1-trifluoropropan-2-ol
CID 107688661
N-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 103848215
N-[[3-fluoro-4-(3-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 107688358
N-[[3-fluoro-4-[2-(trifluoromethoxy)ethoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 107688368
1-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-3-ethoxypropan-2-ol
CID 107688365
4-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-2,2-dimethylbutanenitrile
CID 107688351
N-[[3-fluoro-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 107688660
N-[[3-bromo-4-(2-chloroprop-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 55146050

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(Z)-2,3-dichloroprop-2-enoxy]-3-fluorophenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-[(Z)-2,3-dichloroprop-2-enoxy]-3-fluorophenyl]methyl]-2-methylpropan-2-amine (CID 107688427) is N-[[4-[(Z)-2,3-dichloroprop-2-enoxy]-3-fluorophenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-[(Z)-2,3-dichloroprop-2-enoxy]-3-fluorophenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-[(Z)-2,3-dichloroprop-2-enoxy]-3-fluorophenyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1ccc(OC/C(Cl)=C/Cl)c(F)c1.
What is the InChIKey of N-[[4-[(Z)-2,3-dichloroprop-2-enoxy]-3-fluorophenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is SXARHFFVPYLEFM-XFFZJAGNSA-N. The full InChI is InChI=1S/C14H18Cl2FNO/c1-14(2,3)18-8-10-4-5-13(12(17)6-10)19-9-11(16)7-15/h4-7,18H,8-9H2,1-3H3/b11-7-.
What are the key properties of N-[[4-[(Z)-2,3-dichloroprop-2-enoxy]-3-fluorophenyl]methyl]-2-methylpropan-2-amine?
N-[[4-[(Z)-2,3-dichloroprop-2-enoxy]-3-fluorophenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 306.21 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(Z)-2,3-dichloroprop-2-enoxy]-3-fluorophenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 107688427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).