(6S)-6-(4-fluorophenyl)-2-methyl-N-(2-methylpropyl)hept-2-en-4-amine

C18H28FN — CID 71277010

IUPAC(6S)-6-(4-fluorophenyl)-2-methyl-N-(2-methylpropyl)hept-2-en-4-amine
SMILESCC(C)=CC(C[C@H](C)c1ccc(F)cc1)NCC(C)C
InChIInChI=1S/C18H28FN/c1-13(2)10-18(20-12-14(3)4)11-15(5)16-6-8-17(19)9-7-16/h6-10,14-15,18,20H,11-12H2,1-5H3/t15-,18?/m0/s1
InChIKeyOFYMBFJZDJUFNM-BUSXIPJBSA-N
MW277.43 g/mol
LogP4.90
Rot. Bonds7

About (6S)-6-(4-fluorophenyl)-2-methyl-N-(2-methylpropyl)hept-2-en-4-amine

(6S)-6-(4-fluorophenyl)-2-methyl-N-(2-methylpropyl)hept-2-en-4-amine (PubChem CID 71277010) has the molecular formula C18H28FN and a molecular weight of 277.43 g/mol. Its IUPAC name is (6S)-6-(4-fluorophenyl)-2-methyl-N-(2-methylpropyl)hept-2-en-4-amine.

Molecular Properties

Compound Name(6S)-6-(4-fluorophenyl)-2-methyl-N-(2-methylpropyl)hept-2-en-4-amine
PubChem CID71277010
Molecular FormulaC18H28FN
Molecular Weight277.43 g/mol
Exact Mass277.22
IUPAC Name(6S)-6-(4-fluorophenyl)-2-methyl-N-(2-methylpropyl)hept-2-en-4-amine
SMILESCC(C)=CC(C[C@H](C)c1ccc(F)cc1)NCC(C)C
InChIInChI=1S/C18H28FN/c1-13(2)10-18(20-12-14(3)4)11-15(5)16-6-8-17(19)9-7-16/h6-10,14-15,18,20H,11-12H2,1-5H3/t15-,18?/m0/s1
InChIKeyOFYMBFJZDJUFNM-BUSXIPJBSA-N
XLogP4.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 54.90
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

(6S)-2-methyl-6-(4-methylphenyl)-N-(2-methylpropyl)hept-2-en-4-amine chloride
CID 71532598
2-methyl-6-(3-methylphenyl)-N-(2-methylpropyl)hept-2-en-4-amine
CID 78047529
(2S)-2-[2-(4-fluorophenyl)propylamino]propan-1-ol
CID 103925163
1-(4-bromopentan-2-yl)-4-fluorobenzene
CID 64721249
(2R)-1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol
CID 93033609
(2R)-2-(4-fluorophenyl)propan-1-ol
CID 12969934
1-fluoro-4-[(2S)-4-methylhexan-2-yl]benzene
CID 118425163
1-(4-fluorophenyl)sulfanyl-4-methyl-N-propylpent-3-en-2-amine
CID 79179710
[1-(4-fluorophenyl)-3-methylbut-2-enyl]hydrazine
CID 105192857
1-(4-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 54594094
N-[2-(4-fluorophenyl)propyl]-3-methylbutan-1-amine
CID 115909228
1-butan-2-yl-4-fluorobenzene
CID 11829648

Frequently Asked Questions

What is the IUPAC name of (6S)-6-(4-fluorophenyl)-2-methyl-N-(2-methylpropyl)hept-2-en-4-amine?
The IUPAC name of (6S)-6-(4-fluorophenyl)-2-methyl-N-(2-methylpropyl)hept-2-en-4-amine (CID 71277010) is (6S)-6-(4-fluorophenyl)-2-methyl-N-(2-methylpropyl)hept-2-en-4-amine.
What is the SMILES notation for (6S)-6-(4-fluorophenyl)-2-methyl-N-(2-methylpropyl)hept-2-en-4-amine?
The canonical SMILES for (6S)-6-(4-fluorophenyl)-2-methyl-N-(2-methylpropyl)hept-2-en-4-amine is CC(C)=CC(C[C@H](C)c1ccc(F)cc1)NCC(C)C.
What is the InChIKey of (6S)-6-(4-fluorophenyl)-2-methyl-N-(2-methylpropyl)hept-2-en-4-amine?
The InChIKey is OFYMBFJZDJUFNM-BUSXIPJBSA-N. The full InChI is InChI=1S/C18H28FN/c1-13(2)10-18(20-12-14(3)4)11-15(5)16-6-8-17(19)9-7-16/h6-10,14-15,18,20H,11-12H2,1-5H3/t15-,18?/m0/s1.
What are the key properties of (6S)-6-(4-fluorophenyl)-2-methyl-N-(2-methylpropyl)hept-2-en-4-amine?
(6S)-6-(4-fluorophenyl)-2-methyl-N-(2-methylpropyl)hept-2-en-4-amine has a molecular weight of 277.43 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(4-fluorophenyl)-2-methyl-N-(2-methylpropyl)hept-2-en-4-amine is sourced from PubChem (CID 71277010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).