(E)-N-tert-butyl-4-(5-fluoro-2-methoxyphenyl)pent-3-en-1-amine

C16H24FNO — CID 82782276

IUPAC(E)-N-tert-butyl-4-(5-fluoro-2-methoxyphenyl)pent-3-en-1-amine
SMILESCOc1ccc(F)cc1/C(C)=C/CCNC(C)(C)C
InChIInChI=1S/C16H24FNO/c1-12(7-6-10-18-16(2,3)4)14-11-13(17)8-9-15(14)19-5/h7-9,11,18H,6,10H2,1-5H3/b12-7+
InChIKeyZXMUSRUVRJNWIN-KPKJPENVSA-N
MW265.37 g/mol
LogP4.02
Rot. Bonds5

About (E)-N-tert-butyl-4-(5-fluoro-2-methoxyphenyl)pent-3-en-1-amine

(E)-N-tert-butyl-4-(5-fluoro-2-methoxyphenyl)pent-3-en-1-amine (PubChem CID 82782276) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is (E)-N-tert-butyl-4-(5-fluoro-2-methoxyphenyl)pent-3-en-1-amine.

Molecular Properties

Compound Name(E)-N-tert-butyl-4-(5-fluoro-2-methoxyphenyl)pent-3-en-1-amine
PubChem CID82782276
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name(E)-N-tert-butyl-4-(5-fluoro-2-methoxyphenyl)pent-3-en-1-amine
SMILESCOc1ccc(F)cc1/C(C)=C/CCNC(C)(C)C
InChIInChI=1S/C16H24FNO/c1-12(7-6-10-18-16(2,3)4)14-11-13(17)8-9-15(14)19-5/h7-9,11,18H,6,10H2,1-5H3/b12-7+
InChIKeyZXMUSRUVRJNWIN-KPKJPENVSA-N
XLogP4.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-4-(5-fluoro-2-methoxyphenyl)-N-(2-methoxyethyl)pent-3-en-1-amine
CID 82782510
N-tert-butyl-4-(2,3-difluorophenyl)pent-3-en-1-amine
CID 79606963
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 82126804
N-tert-butyl-4-(4-fluoro-3-methylphenyl)pent-3-en-1-amine
CID 79607279
N'-tert-butyl-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 107445151
N-tert-butyl-4-(3-methylphenyl)pent-3-en-1-amine
CID 79607366
1-(5-fluoro-2-methoxyphenyl)-2-methyl-2-(methylamino)propan-1-one
CID 116566511
4-(5-fluoro-2-methylphenyl)pent-3-en-1-amine
CID 79590011
4-(2,5-difluorophenyl)-N-(2-methylpropyl)pent-3-en-1-amine
CID 79607469
N-[[5-fluoro-2-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 107696624
4-(5-fluoro-2-methoxyphenyl)-2,2-dimethyl-4-oxobutanoic acid
CID 24727272
1-(5-fluoro-2-methoxyphenyl)-2-hydroxy-2-methylbutan-1-one
CID 103446826

Frequently Asked Questions

What is the IUPAC name of (E)-N-tert-butyl-4-(5-fluoro-2-methoxyphenyl)pent-3-en-1-amine?
The IUPAC name of (E)-N-tert-butyl-4-(5-fluoro-2-methoxyphenyl)pent-3-en-1-amine (CID 82782276) is (E)-N-tert-butyl-4-(5-fluoro-2-methoxyphenyl)pent-3-en-1-amine.
What is the SMILES notation for (E)-N-tert-butyl-4-(5-fluoro-2-methoxyphenyl)pent-3-en-1-amine?
The canonical SMILES for (E)-N-tert-butyl-4-(5-fluoro-2-methoxyphenyl)pent-3-en-1-amine is COc1ccc(F)cc1/C(C)=C/CCNC(C)(C)C.
What is the InChIKey of (E)-N-tert-butyl-4-(5-fluoro-2-methoxyphenyl)pent-3-en-1-amine?
The InChIKey is ZXMUSRUVRJNWIN-KPKJPENVSA-N. The full InChI is InChI=1S/C16H24FNO/c1-12(7-6-10-18-16(2,3)4)14-11-13(17)8-9-15(14)19-5/h7-9,11,18H,6,10H2,1-5H3/b12-7+.
What are the key properties of (E)-N-tert-butyl-4-(5-fluoro-2-methoxyphenyl)pent-3-en-1-amine?
(E)-N-tert-butyl-4-(5-fluoro-2-methoxyphenyl)pent-3-en-1-amine has a molecular weight of 265.37 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-tert-butyl-4-(5-fluoro-2-methoxyphenyl)pent-3-en-1-amine is sourced from PubChem (CID 82782276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).