1-[4-(difluoromethoxy)phenyl]-2-methyl-N-propylprop-2-en-1-amine

C14H19F2NO — CID 105005241

IUPAC1-[4-(difluoromethoxy)phenyl]-2-methyl-N-propylprop-2-en-1-amine
SMILESC=C(C)C(NCCC)c1ccc(OC(F)F)cc1
InChIInChI=1S/C14H19F2NO/c1-4-9-17-13(10(2)3)11-5-7-12(8-6-11)18-14(15)16/h5-8,13-14,17H,2,4,9H2,1,3H3
InChIKeyTWJMCAXWZXFCLF-UHFFFAOYSA-N
MW255.31 g/mol
LogP3.90
Rot. Bonds7

About 1-[4-(difluoromethoxy)phenyl]-2-methyl-N-propylprop-2-en-1-amine

1-[4-(difluoromethoxy)phenyl]-2-methyl-N-propylprop-2-en-1-amine (PubChem CID 105005241) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-2-methyl-N-propylprop-2-en-1-amine.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-2-methyl-N-propylprop-2-en-1-amine
PubChem CID105005241
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name1-[4-(difluoromethoxy)phenyl]-2-methyl-N-propylprop-2-en-1-amine
SMILESC=C(C)C(NCCC)c1ccc(OC(F)F)cc1
InChIInChI=1S/C14H19F2NO/c1-4-9-17-13(10(2)3)11-5-7-12(8-6-11)18-14(15)16/h5-8,13-14,17H,2,4,9H2,1,3H3
InChIKeyTWJMCAXWZXFCLF-UHFFFAOYSA-N
XLogP3.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[4-(difluoromethoxy)phenyl]-3-methylidene-N-propylpentan-1-amine
CID 105005864
N-[1-[4-(difluoromethoxy)phenyl]-2-ethoxyethyl]propan-1-amine
CID 105007943
1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-N-propylprop-2-en-1-amine
CID 105005621
2-(4-propan-2-yloxyphenyl)-2-(propylamino)acetic acid
CID 54932626
1-(3-bromo-4-methoxyphenyl)-2-methyl-N-propylprop-2-en-1-amine
CID 105005152
1-[4-(difluoromethoxy)phenyl]-N-(2-ethoxyethyl)ethanamine
CID 43590705
1-(2,6-dimethyl-4-pyridinyl)-2-methyl-N-propylprop-2-en-1-amine
CID 107504040
1-(3-bromophenyl)-2-methyl-N-propylprop-2-en-1-amine
CID 79190724
N-[[4-(difluoromethoxy)phenyl]-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 43497242
N-[1-[4-(difluoromethoxy)phenyl]-2-thiophen-2-ylethyl]propan-1-amine
CID 61065695
2-methyl-1-(2-methyl-4-pyridinyl)-N-propylprop-2-en-1-amine
CID 106755556
ethyl 2-(4-methoxyphenyl)-2-(propylamino)acetate
CID 60795637

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-2-methyl-N-propylprop-2-en-1-amine?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-2-methyl-N-propylprop-2-en-1-amine (CID 105005241) is 1-[4-(difluoromethoxy)phenyl]-2-methyl-N-propylprop-2-en-1-amine.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-2-methyl-N-propylprop-2-en-1-amine?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-2-methyl-N-propylprop-2-en-1-amine is C=C(C)C(NCCC)c1ccc(OC(F)F)cc1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-2-methyl-N-propylprop-2-en-1-amine?
The InChIKey is TWJMCAXWZXFCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-4-9-17-13(10(2)3)11-5-7-12(8-6-11)18-14(15)16/h5-8,13-14,17H,2,4,9H2,1,3H3.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-2-methyl-N-propylprop-2-en-1-amine?
1-[4-(difluoromethoxy)phenyl]-2-methyl-N-propylprop-2-en-1-amine has a molecular weight of 255.31 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-2-methyl-N-propylprop-2-en-1-amine is sourced from PubChem (CID 105005241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).