1-(3,5-difluorophenyl)-5-methyl-N-propylhex-5-en-2-amine

C16H23F2N — CID 114474365

IUPAC1-(3,5-difluorophenyl)-5-methyl-N-propylhex-5-en-2-amine
SMILESC=C(C)CCC(Cc1cc(F)cc(F)c1)NCCC
InChIInChI=1S/C16H23F2N/c1-4-7-19-16(6-5-12(2)3)10-13-8-14(17)11-15(18)9-13/h8-9,11,16,19H,2,4-7,10H2,1,3H3
InChIKeyWNZXSTGIRQNDMD-UHFFFAOYSA-N
MW267.36 g/mol
LogP4.23
Rot. Bonds8

About 1-(3,5-difluorophenyl)-5-methyl-N-propylhex-5-en-2-amine

1-(3,5-difluorophenyl)-5-methyl-N-propylhex-5-en-2-amine (PubChem CID 114474365) has the molecular formula C16H23F2N and a molecular weight of 267.36 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-5-methyl-N-propylhex-5-en-2-amine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-5-methyl-N-propylhex-5-en-2-amine
PubChem CID114474365
Molecular FormulaC16H23F2N
Molecular Weight267.36 g/mol
Exact Mass267.18
IUPAC Name1-(3,5-difluorophenyl)-5-methyl-N-propylhex-5-en-2-amine
SMILESC=C(C)CCC(Cc1cc(F)cc(F)c1)NCCC
InChIInChI=1S/C16H23F2N/c1-4-7-19-16(6-5-12(2)3)10-13-8-14(17)11-15(18)9-13/h8-9,11,16,19H,2,4-7,10H2,1,3H3
InChIKeyWNZXSTGIRQNDMD-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3,5-difluorophenyl)-4-methylidene-N-propylhexan-2-amine
CID 66039224
1-(2-chloro-4-fluorophenyl)-5-methyl-N-propylhex-5-en-2-amine
CID 114474615
1-(3,5-difluorophenyl)-3-(1,3-dioxolan-2-yl)-N-propylpropan-2-amine
CID 103547300
1-(3-fluoro-5-methylphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 114475635
1-tert-butylsulfanyl-3-(3,5-difluorophenyl)-N-propylpropan-2-amine
CID 105406268
6-methyl-1-(4-methylphenyl)-N-propylhept-6-en-3-amine
CID 105182618
1-(cyclohexen-1-yl)-5-methyl-N-propylhex-5-en-2-amine
CID 114475925
[1-(3,5-difluorophenyl)-4-methylpent-4-en-2-yl]hydrazine
CID 105206774
1-(3-bromo-5-fluorophenyl)-4-methyl-N-propylpentan-2-amine
CID 79709200
[1-(4-fluorophenyl)-5-methylhex-5-en-2-yl]hydrazine
CID 105198284
1-(3,5-difluorophenyl)-N-propyl-3-(thian-4-yl)propan-2-amine
CID 105412607
N-[2-(3,5-difluorophenyl)ethyl]heptan-4-amine
CID 62604631

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-5-methyl-N-propylhex-5-en-2-amine?
The IUPAC name of 1-(3,5-difluorophenyl)-5-methyl-N-propylhex-5-en-2-amine (CID 114474365) is 1-(3,5-difluorophenyl)-5-methyl-N-propylhex-5-en-2-amine.
What is the SMILES notation for 1-(3,5-difluorophenyl)-5-methyl-N-propylhex-5-en-2-amine?
The canonical SMILES for 1-(3,5-difluorophenyl)-5-methyl-N-propylhex-5-en-2-amine is C=C(C)CCC(Cc1cc(F)cc(F)c1)NCCC.
What is the InChIKey of 1-(3,5-difluorophenyl)-5-methyl-N-propylhex-5-en-2-amine?
The InChIKey is WNZXSTGIRQNDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N/c1-4-7-19-16(6-5-12(2)3)10-13-8-14(17)11-15(18)9-13/h8-9,11,16,19H,2,4-7,10H2,1,3H3.
What are the key properties of 1-(3,5-difluorophenyl)-5-methyl-N-propylhex-5-en-2-amine?
1-(3,5-difluorophenyl)-5-methyl-N-propylhex-5-en-2-amine has a molecular weight of 267.36 g/mol, XLogP of 4.23, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-5-methyl-N-propylhex-5-en-2-amine is sourced from PubChem (CID 114474365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).