2-(3-chlorophenoxy)-6-methylhept-6-en-3-amine

C14H20ClNO — CID 105182592

IUPAC2-(3-chlorophenoxy)-6-methylhept-6-en-3-amine
SMILESC=C(C)CCC(N)C(C)Oc1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO/c1-10(2)7-8-14(16)11(3)17-13-6-4-5-12(15)9-13/h4-6,9,11,14H,1,7-8,16H2,2-3H3
InChIKeyWTLUBPKBMKKMTG-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.79
Rot. Bonds6

About 2-(3-chlorophenoxy)-6-methylhept-6-en-3-amine

2-(3-chlorophenoxy)-6-methylhept-6-en-3-amine (PubChem CID 105182592) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-6-methylhept-6-en-3-amine.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-6-methylhept-6-en-3-amine
PubChem CID105182592
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name2-(3-chlorophenoxy)-6-methylhept-6-en-3-amine
SMILESC=C(C)CCC(N)C(C)Oc1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO/c1-10(2)7-8-14(16)11(3)17-13-6-4-5-12(15)9-13/h4-6,9,11,14H,1,7-8,16H2,2-3H3
InChIKeyWTLUBPKBMKKMTG-UHFFFAOYSA-N
XLogP3.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.79
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)-5-methyloctan-3-amine
CID 105137963
4-(3-chlorophenoxy)-2-methylpent-1-en-3-ol
CID 105110444
2-(3-chlorophenoxy)-N,5-dimethylhex-5-en-3-amine
CID 105162977
3-(3-chlorophenoxy)-1-cyclopropylbutan-2-amine
CID 105152855
1-(3-chlorophenyl)-4-methylpent-4-en-1-amine
CID 114474120
4-(3-chlorophenoxy)-2-methylpent-1-en-3-one
CID 105113093
4-(3-chlorophenoxy)-N-ethyl-2-methylpent-1-en-3-amine
CID 105163546
1-(4-bromophenyl)-3-(3-chlorophenoxy)butan-2-amine
CID 105089165
1-(2-chloro-5-fluorophenyl)-3-(3-chlorophenoxy)butan-2-amine
CID 102622785
2-(3-chlorophenoxy)-5-methyl-N-propylhex-5-en-3-amine
CID 105162926
4-(3-chlorophenoxy)-2,2-dimethylpentan-3-amine
CID 105146009
4-(3-chlorophenoxy)-2,2-dimethylpentan-3-ol
CID 105096700

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-6-methylhept-6-en-3-amine?
The IUPAC name of 2-(3-chlorophenoxy)-6-methylhept-6-en-3-amine (CID 105182592) is 2-(3-chlorophenoxy)-6-methylhept-6-en-3-amine.
What is the SMILES notation for 2-(3-chlorophenoxy)-6-methylhept-6-en-3-amine?
The canonical SMILES for 2-(3-chlorophenoxy)-6-methylhept-6-en-3-amine is C=C(C)CCC(N)C(C)Oc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenoxy)-6-methylhept-6-en-3-amine?
The InChIKey is WTLUBPKBMKKMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-10(2)7-8-14(16)11(3)17-13-6-4-5-12(15)9-13/h4-6,9,11,14H,1,7-8,16H2,2-3H3.
What are the key properties of 2-(3-chlorophenoxy)-6-methylhept-6-en-3-amine?
2-(3-chlorophenoxy)-6-methylhept-6-en-3-amine has a molecular weight of 253.77 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-6-methylhept-6-en-3-amine is sourced from PubChem (CID 105182592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).