4-(3-chlorophenoxy)-N-ethyl-2-methylpent-1-en-3-amine

C14H20ClNO — CID 105163546

IUPAC4-(3-chlorophenoxy)-N-ethyl-2-methylpent-1-en-3-amine
SMILESC=C(C)C(NCC)C(C)Oc1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO/c1-5-16-14(10(2)3)11(4)17-13-8-6-7-12(15)9-13/h6-9,11,14,16H,2,5H2,1,3-4H3
InChIKeyBVHTULRFSXYRQF-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.66
Rot. Bonds6

About 4-(3-chlorophenoxy)-N-ethyl-2-methylpent-1-en-3-amine

4-(3-chlorophenoxy)-N-ethyl-2-methylpent-1-en-3-amine (PubChem CID 105163546) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 4-(3-chlorophenoxy)-N-ethyl-2-methylpent-1-en-3-amine.

Molecular Properties

Compound Name4-(3-chlorophenoxy)-N-ethyl-2-methylpent-1-en-3-amine
PubChem CID105163546
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name4-(3-chlorophenoxy)-N-ethyl-2-methylpent-1-en-3-amine
SMILESC=C(C)C(NCC)C(C)Oc1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO/c1-5-16-14(10(2)3)11(4)17-13-8-6-7-12(15)9-13/h6-9,11,14,16H,2,5H2,1,3-4H3
InChIKeyBVHTULRFSXYRQF-UHFFFAOYSA-N
XLogP3.66
TPSA21.26 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 ≤ 53.66
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-methyl-N-propylhex-5-en-3-amine
CID 105162926
4-(3-chlorophenoxy)-2-methylpent-1-en-3-ol
CID 105110444
3-(3-chlorophenoxy)-N-ethyl-1-phenylbutan-2-amine
CID 105084432
2-(3-chlorophenoxy)-N,5-dimethylhex-5-en-3-amine
CID 105162977
3-(3-chlorophenoxy)-N-ethyl-1-propoxybutan-2-amine
CID 105165268
2-(3-chlorophenoxy)-1-cyclopentyl-N-ethylpropan-1-amine
CID 105080697
4-(3-chlorophenoxy)-2-methylpent-1-en-3-one
CID 105113093
2-(3-chlorophenoxy)-6-methylhept-6-en-3-amine
CID 105182592
2-(3-chlorophenoxy)-N-ethyl-6-methoxy-4-methylhexan-3-amine
CID 105184925
4-(3-chlorophenoxy)-N-ethyl-1-thiophen-2-ylpentan-3-amine
CID 105150171
4-(3-chlorophenoxy)-2,2-dimethylpentan-3-ol
CID 105096700
3-(3-chlorophenoxy)-N-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105159384

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenoxy)-N-ethyl-2-methylpent-1-en-3-amine?
The IUPAC name of 4-(3-chlorophenoxy)-N-ethyl-2-methylpent-1-en-3-amine (CID 105163546) is 4-(3-chlorophenoxy)-N-ethyl-2-methylpent-1-en-3-amine.
What is the SMILES notation for 4-(3-chlorophenoxy)-N-ethyl-2-methylpent-1-en-3-amine?
The canonical SMILES for 4-(3-chlorophenoxy)-N-ethyl-2-methylpent-1-en-3-amine is C=C(C)C(NCC)C(C)Oc1cccc(Cl)c1.
What is the InChIKey of 4-(3-chlorophenoxy)-N-ethyl-2-methylpent-1-en-3-amine?
The InChIKey is BVHTULRFSXYRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-5-16-14(10(2)3)11(4)17-13-8-6-7-12(15)9-13/h6-9,11,14,16H,2,5H2,1,3-4H3.
What are the key properties of 4-(3-chlorophenoxy)-N-ethyl-2-methylpent-1-en-3-amine?
4-(3-chlorophenoxy)-N-ethyl-2-methylpent-1-en-3-amine has a molecular weight of 253.77 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenoxy)-N-ethyl-2-methylpent-1-en-3-amine is sourced from PubChem (CID 105163546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).