N-[(3-fluorophenyl)methyl]hept-6-en-1-amine

C14H20FN — CID 107006535

IUPACN-[(3-fluorophenyl)methyl]hept-6-en-1-amine
SMILESC=CCCCCCNCc1cccc(F)c1
InChIInChI=1S/C14H20FN/c1-2-3-4-5-6-10-16-12-13-8-7-9-14(15)11-13/h2,7-9,11,16H,1,3-6,10,12H2
InChIKeyNTNRAQSPMNHUQS-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.66
Rot. Bonds8

About N-[(3-fluorophenyl)methyl]hept-6-en-1-amine

N-[(3-fluorophenyl)methyl]hept-6-en-1-amine (PubChem CID 107006535) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]hept-6-en-1-amine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]hept-6-en-1-amine
PubChem CID107006535
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC NameN-[(3-fluorophenyl)methyl]hept-6-en-1-amine
SMILESC=CCCCCCNCc1cccc(F)c1
InChIInChI=1S/C14H20FN/c1-2-3-4-5-6-10-16-12-13-8-7-9-14(15)11-13/h2,7-9,11,16H,1,3-6,10,12H2
InChIKeyNTNRAQSPMNHUQS-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-fluorophenyl)methylamino]propan-1-ol
CID 28714303
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1-N-[(3-fluorophenyl)methyl]pentane-1,4-diamine
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N-(furan-3-ylmethyl)hept-6-en-1-amine
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but-3-en-2-ol;ethane;N-[(3-fluorophenyl)methyl]propan-1-amine
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2-[(3-fluorophenyl)methylamino]acetaldehyde
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N-[[3-(aminomethyl)phenyl]methyl]but-3-en-1-amine
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CID 75530128

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]hept-6-en-1-amine?
The IUPAC name of N-[(3-fluorophenyl)methyl]hept-6-en-1-amine (CID 107006535) is N-[(3-fluorophenyl)methyl]hept-6-en-1-amine.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]hept-6-en-1-amine?
The canonical SMILES for N-[(3-fluorophenyl)methyl]hept-6-en-1-amine is C=CCCCCCNCc1cccc(F)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]hept-6-en-1-amine?
The InChIKey is NTNRAQSPMNHUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-2-3-4-5-6-10-16-12-13-8-7-9-14(15)11-13/h2,7-9,11,16H,1,3-6,10,12H2.
What are the key properties of N-[(3-fluorophenyl)methyl]hept-6-en-1-amine?
N-[(3-fluorophenyl)methyl]hept-6-en-1-amine has a molecular weight of 221.32 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]hept-6-en-1-amine is sourced from PubChem (CID 107006535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).