1-(3-chloro-2-hept-6-enoxyphenyl)propan-2-amine

C16H24ClNO — CID 107009951

IUPAC1-(3-chloro-2-hept-6-enoxyphenyl)propan-2-amine
SMILESC=CCCCCCOc1c(Cl)cccc1CC(C)N
InChIInChI=1S/C16H24ClNO/c1-3-4-5-6-7-11-19-16-14(12-13(2)18)9-8-10-15(16)17/h3,8-10,13H,1,4-7,11-12,18H2,2H3
InChIKeyCBAFVEUILPYRHB-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.35
Rot. Bonds9

About 1-(3-chloro-2-hept-6-enoxyphenyl)propan-2-amine

1-(3-chloro-2-hept-6-enoxyphenyl)propan-2-amine (PubChem CID 107009951) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 1-(3-chloro-2-hept-6-enoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-chloro-2-hept-6-enoxyphenyl)propan-2-amine
PubChem CID107009951
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name1-(3-chloro-2-hept-6-enoxyphenyl)propan-2-amine
SMILESC=CCCCCCOc1c(Cl)cccc1CC(C)N
InChIInChI=1S/C16H24ClNO/c1-3-4-5-6-7-11-19-16-14(12-13(2)18)9-8-10-15(16)17/h3,8-10,13H,1,4-7,11-12,18H2,2H3
InChIKeyCBAFVEUILPYRHB-UHFFFAOYSA-N
XLogP4.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.35
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'}

Analyze 1-(3-chloro-2-hept-6-enoxyphenyl)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chloro-2-heptoxyphenyl)propan-2-amine
CID 112615606
1-[3-chloro-2-(3-methoxypropoxy)phenyl]propan-2-amine
CID 112615570
1-[3-chloro-2-(2-cyclopropylethoxy)phenyl]propan-2-amine
CID 112615652
1-[3-chloro-2-(2-phenylsulfanylethoxy)phenyl]propan-2-amine
CID 115958347
1-[3-chloro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]propan-2-amine
CID 115958359
1-(3-bromo-2-octoxyphenyl)propan-2-amine
CID 63421974
1-(3-fluoro-2-octoxyphenyl)propan-2-amine
CID 115958573
2-[2-(2-aminopropyl)-6-chlorophenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 115958397
1-(3-methyl-2-pentoxyphenyl)propan-2-amine
CID 112615361
5-[2-(2-aminobutyl)-6-chlorophenoxy]pentanenitrile
CID 112615742
1-(bromomethyl)-3-chloro-2-octoxybenzene
CID 112613741
4-[[2-(2-aminopropyl)-6-chlorophenoxy]methyl]benzonitrile
CID 115958311

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-hept-6-enoxyphenyl)propan-2-amine?
The IUPAC name of 1-(3-chloro-2-hept-6-enoxyphenyl)propan-2-amine (CID 107009951) is 1-(3-chloro-2-hept-6-enoxyphenyl)propan-2-amine.
What is the SMILES notation for 1-(3-chloro-2-hept-6-enoxyphenyl)propan-2-amine?
The canonical SMILES for 1-(3-chloro-2-hept-6-enoxyphenyl)propan-2-amine is C=CCCCCCOc1c(Cl)cccc1CC(C)N.
What is the InChIKey of 1-(3-chloro-2-hept-6-enoxyphenyl)propan-2-amine?
The InChIKey is CBAFVEUILPYRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-3-4-5-6-7-11-19-16-14(12-13(2)18)9-8-10-15(16)17/h3,8-10,13H,1,4-7,11-12,18H2,2H3.
What are the key properties of 1-(3-chloro-2-hept-6-enoxyphenyl)propan-2-amine?
1-(3-chloro-2-hept-6-enoxyphenyl)propan-2-amine has a molecular weight of 281.83 g/mol, XLogP of 4.35, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-hept-6-enoxyphenyl)propan-2-amine is sourced from PubChem (CID 107009951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).