1-[4-(difluoromethoxy)phenyl]-3-methylidene-N-propylpentan-1-amine

C16H23F2NO — CID 105005864

IUPAC1-[4-(difluoromethoxy)phenyl]-3-methylidene-N-propylpentan-1-amine
SMILESC=C(CC)CC(NCCC)c1ccc(OC(F)F)cc1
InChIInChI=1S/C16H23F2NO/c1-4-10-19-15(11-12(3)5-2)13-6-8-14(9-7-13)20-16(17)18/h6-9,15-16,19H,3-5,10-11H2,1-2H3
InChIKeyBNZIGRNPGRKTFF-UHFFFAOYSA-N
MW283.36 g/mol
LogP4.68
Rot. Bonds9

About 1-[4-(difluoromethoxy)phenyl]-3-methylidene-N-propylpentan-1-amine

1-[4-(difluoromethoxy)phenyl]-3-methylidene-N-propylpentan-1-amine (PubChem CID 105005864) has the molecular formula C16H23F2NO and a molecular weight of 283.36 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-3-methylidene-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-3-methylidene-N-propylpentan-1-amine
PubChem CID105005864
Molecular FormulaC16H23F2NO
Molecular Weight283.36 g/mol
Exact Mass283.17
IUPAC Name1-[4-(difluoromethoxy)phenyl]-3-methylidene-N-propylpentan-1-amine
SMILESC=C(CC)CC(NCCC)c1ccc(OC(F)F)cc1
InChIInChI=1S/C16H23F2NO/c1-4-10-19-15(11-12(3)5-2)13-6-8-14(9-7-13)20-16(17)18/h6-9,15-16,19H,3-5,10-11H2,1-2H3
InChIKeyBNZIGRNPGRKTFF-UHFFFAOYSA-N
XLogP4.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 54.68
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

N-[1-[4-(difluoromethoxy)phenyl]-2-ethoxyethyl]propan-1-amine
CID 105007943
1-[4-(difluoromethoxy)phenyl]-2-methyl-N-propylprop-2-en-1-amine
CID 105005241
3-methylidene-1-(4-methylsulfanylphenyl)-N-propylpentan-1-amine
CID 105005861
1-(furan-3-yl)-3-methylidene-N-propylpentan-1-amine
CID 66039717
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylidene-N-propylpentan-1-amine
CID 105005676
N-[1-[4-(difluoromethoxy)phenyl]-2-thiophen-2-ylethyl]propan-1-amine
CID 61065695
methyl 3-[4-(difluoromethoxy)phenyl]-3-(ethylamino)propanoate
CID 65234653
1-(4-butoxyphenyl)-3-methyl-N-propylbut-3-en-1-amine
CID 105163105
1-(2,4-dimethoxyphenyl)-3-methylidene-N-propylpentan-1-amine
CID 105006124
1-[4-(difluoromethoxy)phenyl]-N-(2-ethoxyethyl)ethanamine
CID 43590705
1-[4-(difluoromethoxy)phenyl]-N-methylpropan-1-amine
CID 43280106
3-methylidene-N-propyl-1-thiophen-2-ylpentan-1-amine
CID 66046737

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-3-methylidene-N-propylpentan-1-amine?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-3-methylidene-N-propylpentan-1-amine (CID 105005864) is 1-[4-(difluoromethoxy)phenyl]-3-methylidene-N-propylpentan-1-amine.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-3-methylidene-N-propylpentan-1-amine?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-3-methylidene-N-propylpentan-1-amine is C=C(CC)CC(NCCC)c1ccc(OC(F)F)cc1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-3-methylidene-N-propylpentan-1-amine?
The InChIKey is BNZIGRNPGRKTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO/c1-4-10-19-15(11-12(3)5-2)13-6-8-14(9-7-13)20-16(17)18/h6-9,15-16,19H,3-5,10-11H2,1-2H3.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-3-methylidene-N-propylpentan-1-amine?
1-[4-(difluoromethoxy)phenyl]-3-methylidene-N-propylpentan-1-amine has a molecular weight of 283.36 g/mol, XLogP of 4.68, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-3-methylidene-N-propylpentan-1-amine is sourced from PubChem (CID 105005864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).