2-(3-chlorophenoxy)-5-methyl-N-propylhex-5-en-3-amine

C16H24ClNO — CID 105162926

IUPAC2-(3-chlorophenoxy)-5-methyl-N-propylhex-5-en-3-amine
SMILESC=C(C)CC(NCCC)C(C)Oc1cccc(Cl)c1
InChIInChI=1S/C16H24ClNO/c1-5-9-18-16(10-12(2)3)13(4)19-15-8-6-7-14(17)11-15/h6-8,11,13,16,18H,2,5,9-10H2,1,3-4H3
InChIKeyQQVRVKCZPJLQER-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.44
Rot. Bonds8

About 2-(3-chlorophenoxy)-5-methyl-N-propylhex-5-en-3-amine

2-(3-chlorophenoxy)-5-methyl-N-propylhex-5-en-3-amine (PubChem CID 105162926) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-5-methyl-N-propylhex-5-en-3-amine.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-5-methyl-N-propylhex-5-en-3-amine
PubChem CID105162926
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name2-(3-chlorophenoxy)-5-methyl-N-propylhex-5-en-3-amine
SMILESC=C(C)CC(NCCC)C(C)Oc1cccc(Cl)c1
InChIInChI=1S/C16H24ClNO/c1-5-9-18-16(10-12(2)3)13(4)19-15-8-6-7-14(17)11-15/h6-8,11,13,16,18H,2,5,9-10H2,1,3-4H3
InChIKeyQQVRVKCZPJLQER-UHFFFAOYSA-N
XLogP4.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.44
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
2-(3-chlorophenoxy)-5-ethyl-N-propylheptan-3-amine
CID 105176676
4-(3-chlorophenoxy)-N-ethyl-2-methylpent-1-en-3-amine
CID 105163546
2-(3-chlorophenoxy)-N-propyloct-7-yn-3-amine
CID 105179486
4-(3-chlorophenoxy)-2-methylpent-1-en-3-ol
CID 105110444
3-(3-chlorophenoxy)-N-ethyl-1-propoxybutan-2-amine
CID 105165268
3-(3-chlorophenoxy)-N-ethyl-1-phenylbutan-2-amine
CID 105084432
2-(3-chlorophenoxy)-6-methylhept-6-en-3-amine
CID 105182592
2-(3-chlorophenoxy)-N-propylpropan-1-amine
CID 62227786
2-(3-chlorophenoxy)-N-methylhex-5-en-3-amine
CID 105108066
1-(3-chlorophenoxy)-3-ethyl-N-propylpentan-2-amine
CID 105168543
4-(3-chlorophenoxy)-2-methylpent-1-en-3-one
CID 105113093

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-5-methyl-N-propylhex-5-en-3-amine?
The IUPAC name of 2-(3-chlorophenoxy)-5-methyl-N-propylhex-5-en-3-amine (CID 105162926) is 2-(3-chlorophenoxy)-5-methyl-N-propylhex-5-en-3-amine.
What is the SMILES notation for 2-(3-chlorophenoxy)-5-methyl-N-propylhex-5-en-3-amine?
The canonical SMILES for 2-(3-chlorophenoxy)-5-methyl-N-propylhex-5-en-3-amine is C=C(C)CC(NCCC)C(C)Oc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenoxy)-5-methyl-N-propylhex-5-en-3-amine?
The InChIKey is QQVRVKCZPJLQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-5-9-18-16(10-12(2)3)13(4)19-15-8-6-7-14(17)11-15/h6-8,11,13,16,18H,2,5,9-10H2,1,3-4H3.
What are the key properties of 2-(3-chlorophenoxy)-5-methyl-N-propylhex-5-en-3-amine?
2-(3-chlorophenoxy)-5-methyl-N-propylhex-5-en-3-amine has a molecular weight of 281.83 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-5-methyl-N-propylhex-5-en-3-amine is sourced from PubChem (CID 105162926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).