2-(3-chlorophenoxy)-N-methylhex-5-en-3-amine

C13H18ClNO — CID 105108066

IUPAC2-(3-chlorophenoxy)-N-methylhex-5-en-3-amine
SMILESC=CCC(NC)C(C)Oc1cccc(Cl)c1
InChIInChI=1S/C13H18ClNO/c1-4-6-13(15-3)10(2)16-12-8-5-7-11(14)9-12/h4-5,7-10,13,15H,1,6H2,2-3H3
InChIKeyQJNHEHBWVOCPJW-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.27
Rot. Bonds6

About 2-(3-chlorophenoxy)-N-methylhex-5-en-3-amine

2-(3-chlorophenoxy)-N-methylhex-5-en-3-amine (PubChem CID 105108066) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-methylhex-5-en-3-amine.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-methylhex-5-en-3-amine
PubChem CID105108066
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name2-(3-chlorophenoxy)-N-methylhex-5-en-3-amine
SMILESC=CCC(NC)C(C)Oc1cccc(Cl)c1
InChIInChI=1S/C13H18ClNO/c1-4-6-13(15-3)10(2)16-12-8-5-7-11(14)9-12/h4-5,7-10,13,15H,1,6H2,2-3H3
InChIKeyQJNHEHBWVOCPJW-UHFFFAOYSA-N
XLogP3.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chlorophenoxy)-N,5-dimethylhex-5-en-3-amine
CID 105162977
4-(3-chlorophenoxy)-1-cyclopropyl-N-methylpentan-3-amine
CID 105157730
2-(3-chlorophenoxy)-1-(2-chlorophenyl)-N-methylpropan-1-amine
CID 105099609
[3-(3-chlorophenoxy)-1-cyclopropylbutan-2-yl]hydrazine
CID 105311025
1-(3-chlorophenyl)-N-methylbut-3-en-1-amine
CID 61380748
1-chloro-3-[(1S)-1-phenylbut-3-enoxy]benzene
CID 122689566
1-(3-chlorophenoxy)-N,3-dimethylbutan-2-amine
CID 105077820
3-(3-chlorophenoxy)-N-ethyl-1-phenylbutan-2-amine
CID 105084432
4-(3-chlorophenoxy)-N-ethyl-2-methylpent-1-en-3-amine
CID 105163546
2-(3-chlorophenoxy)-5-methyl-N-propylhex-5-en-3-amine
CID 105162926
1-O-(3-chlorophenyl) 5-O-pent-4-en-2-yl pentanedioate
CID 91709173
2-(3-chlorophenoxy)-5-ethyl-N-propylheptan-3-amine
CID 105176676

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-methylhex-5-en-3-amine?
The IUPAC name of 2-(3-chlorophenoxy)-N-methylhex-5-en-3-amine (CID 105108066) is 2-(3-chlorophenoxy)-N-methylhex-5-en-3-amine.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-methylhex-5-en-3-amine?
The canonical SMILES for 2-(3-chlorophenoxy)-N-methylhex-5-en-3-amine is C=CCC(NC)C(C)Oc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-methylhex-5-en-3-amine?
The InChIKey is QJNHEHBWVOCPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-4-6-13(15-3)10(2)16-12-8-5-7-11(14)9-12/h4-5,7-10,13,15H,1,6H2,2-3H3.
What are the key properties of 2-(3-chlorophenoxy)-N-methylhex-5-en-3-amine?
2-(3-chlorophenoxy)-N-methylhex-5-en-3-amine has a molecular weight of 239.75 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-methylhex-5-en-3-amine is sourced from PubChem (CID 105108066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).