1-(4-hept-6-enoxyphenyl)ethanamine

C15H23NO — CID 107006007

IUPAC1-(4-hept-6-enoxyphenyl)ethanamine
SMILESC=CCCCCCOc1ccc(C(C)N)cc1
InChIInChI=1S/C15H23NO/c1-3-4-5-6-7-12-17-15-10-8-14(9-11-15)13(2)16/h3,8-11,13H,1,4-7,12,16H2,2H3
InChIKeyJCOAPPRTLZYQGC-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.83
Rot. Bonds8

About 1-(4-hept-6-enoxyphenyl)ethanamine

1-(4-hept-6-enoxyphenyl)ethanamine (PubChem CID 107006007) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-(4-hept-6-enoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(4-hept-6-enoxyphenyl)ethanamine
PubChem CID107006007
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name1-(4-hept-6-enoxyphenyl)ethanamine
SMILESC=CCCCCCOc1ccc(C(C)N)cc1
InChIInChI=1S/C15H23NO/c1-3-4-5-6-7-12-17-15-10-8-14(9-11-15)13(2)16/h3,8-11,13H,1,4-7,12,16H2,2H3
InChIKeyJCOAPPRTLZYQGC-UHFFFAOYSA-N
XLogP3.83
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

1-(4-hept-6-enoxyphenyl)propan-1-amine
CID 107006008
1-pent-4-enoxy-4-propan-2-ylbenzene
CID 64764392
(1R)-1-(4-prop-2-enoxyphenyl)ethanamine
CID 63367601
1-methyl-4-tridec-12-enoxybenzene
CID 139447523
(1S)-1-(4-pent-4-enoxyphenyl)propan-1-amine
CID 78967480
(1R)-1-(3-pent-4-enoxyphenyl)ethanamine
CID 78967500
1-ethyl-4-oct-7-enoxybenzene
CID 158431404
1-[4-(3-phenoxypropoxy)phenyl]ethanamine
CID 13012117
(1R)-1-[4-(3-fluoropropoxy)phenyl]ethanamine
CID 78960972
1-undec-10-enoxy-4-[(4-undec-10-enoxyphenyl)methyl]benzene
CID 132933254
1-(4-hept-6-enoxyphenyl)-N-propylpropan-1-amine
CID 107006087
1-ethenyl-4-hex-5-enoxybenzene
CID 86167911

Frequently Asked Questions

What is the IUPAC name of 1-(4-hept-6-enoxyphenyl)ethanamine?
The IUPAC name of 1-(4-hept-6-enoxyphenyl)ethanamine (CID 107006007) is 1-(4-hept-6-enoxyphenyl)ethanamine.
What is the SMILES notation for 1-(4-hept-6-enoxyphenyl)ethanamine?
The canonical SMILES for 1-(4-hept-6-enoxyphenyl)ethanamine is C=CCCCCCOc1ccc(C(C)N)cc1.
What is the InChIKey of 1-(4-hept-6-enoxyphenyl)ethanamine?
The InChIKey is JCOAPPRTLZYQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-4-5-6-7-12-17-15-10-8-14(9-11-15)13(2)16/h3,8-11,13H,1,4-7,12,16H2,2H3.
What are the key properties of 1-(4-hept-6-enoxyphenyl)ethanamine?
1-(4-hept-6-enoxyphenyl)ethanamine has a molecular weight of 233.36 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hept-6-enoxyphenyl)ethanamine is sourced from PubChem (CID 107006007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).