[2-[(E)-3-chloro-2-methylprop-2-enoxy]-4-propoxyphenyl]methanamine

C14H20ClNO2 — CID 106436827

IUPAC[2-[(E)-3-chloro-2-methylprop-2-enoxy]-4-propoxyphenyl]methanamine
SMILESCCCOc1ccc(CN)c(OC/C(C)=C/Cl)c1
InChIInChI=1S/C14H20ClNO2/c1-3-6-17-13-5-4-12(9-16)14(7-13)18-10-11(2)8-15/h4-5,7-8H,3,6,9-10,16H2,1-2H3/b11-8+
InChIKeyPHWLFZYBVFTEKZ-DHZHZOJOSA-N
MW269.77 g/mol
LogP3.46
Rot. Bonds7

About [2-[(E)-3-chloro-2-methylprop-2-enoxy]-4-propoxyphenyl]methanamine

[2-[(E)-3-chloro-2-methylprop-2-enoxy]-4-propoxyphenyl]methanamine (PubChem CID 106436827) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is [2-[(E)-3-chloro-2-methylprop-2-enoxy]-4-propoxyphenyl]methanamine.

Molecular Properties

Compound Name[2-[(E)-3-chloro-2-methylprop-2-enoxy]-4-propoxyphenyl]methanamine
PubChem CID106436827
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name[2-[(E)-3-chloro-2-methylprop-2-enoxy]-4-propoxyphenyl]methanamine
SMILESCCCOc1ccc(CN)c(OC/C(C)=C/Cl)c1
InChIInChI=1S/C14H20ClNO2/c1-3-6-17-13-5-4-12(9-16)14(7-13)18-10-11(2)8-15/h4-5,7-8H,3,6,9-10,16H2,1-2H3/b11-8+
InChIKeyPHWLFZYBVFTEKZ-DHZHZOJOSA-N
XLogP3.46
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-butoxy-4-propoxyphenyl)methanamine
CID 43472095
(2-octoxy-4-propoxyphenyl)methanamine
CID 43472093
6-[2-(aminomethyl)-5-propoxyphenoxy]hexan-1-ol
CID 107702428
[2-(2-ethylbutoxy)-4-propoxyphenyl]methanamine
CID 82925951
(2-but-2-ynoxy-4-propoxyphenyl)methanamine
CID 55057837
[2,4-di(docosoxy)phenyl]methanamine
CID 66652643
2-[2-(aminomethyl)-5-propoxyphenoxy]-N-cyclopropyl-N-methylacetamide
CID 61488754
[2-(2-methylsulfonylethoxy)-4-propoxyphenyl]methanamine
CID 60915924
(2-butan-2-yloxy-4-propoxyphenyl)methanamine
CID 43472107
[2-(cyclobutylmethoxy)-4-propoxyphenyl]methanamine
CID 65457537
2-[2-(2-aminoethyl)-5-propoxyphenoxy]acetamide
CID 54931076
[4-propoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methanamine
CID 112640347

Frequently Asked Questions

What is the IUPAC name of [2-[(E)-3-chloro-2-methylprop-2-enoxy]-4-propoxyphenyl]methanamine?
The IUPAC name of [2-[(E)-3-chloro-2-methylprop-2-enoxy]-4-propoxyphenyl]methanamine (CID 106436827) is [2-[(E)-3-chloro-2-methylprop-2-enoxy]-4-propoxyphenyl]methanamine.
What is the SMILES notation for [2-[(E)-3-chloro-2-methylprop-2-enoxy]-4-propoxyphenyl]methanamine?
The canonical SMILES for [2-[(E)-3-chloro-2-methylprop-2-enoxy]-4-propoxyphenyl]methanamine is CCCOc1ccc(CN)c(OC/C(C)=C/Cl)c1.
What is the InChIKey of [2-[(E)-3-chloro-2-methylprop-2-enoxy]-4-propoxyphenyl]methanamine?
The InChIKey is PHWLFZYBVFTEKZ-DHZHZOJOSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-3-6-17-13-5-4-12(9-16)14(7-13)18-10-11(2)8-15/h4-5,7-8H,3,6,9-10,16H2,1-2H3/b11-8+.
What are the key properties of [2-[(E)-3-chloro-2-methylprop-2-enoxy]-4-propoxyphenyl]methanamine?
[2-[(E)-3-chloro-2-methylprop-2-enoxy]-4-propoxyphenyl]methanamine has a molecular weight of 269.77 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(E)-3-chloro-2-methylprop-2-enoxy]-4-propoxyphenyl]methanamine is sourced from PubChem (CID 106436827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).