2-(4-but-3-en-2-yloxy-3-chlorophenyl)ethanamine

C12H16ClNO — CID 62384351

IUPAC2-(4-but-3-en-2-yloxy-3-chlorophenyl)ethanamine
SMILESC=CC(C)Oc1ccc(CCN)cc1Cl
InChIInChI=1S/C12H16ClNO/c1-3-9(2)15-12-5-4-10(6-7-14)8-11(12)13/h3-5,8-9H,1,6-7,14H2,2H3
InChIKeyRWSIIVCLQIFITP-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.79
Rot. Bonds5

About 2-(4-but-3-en-2-yloxy-3-chlorophenyl)ethanamine

2-(4-but-3-en-2-yloxy-3-chlorophenyl)ethanamine (PubChem CID 62384351) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 2-(4-but-3-en-2-yloxy-3-chlorophenyl)ethanamine.

Molecular Properties

Compound Name2-(4-but-3-en-2-yloxy-3-chlorophenyl)ethanamine
PubChem CID62384351
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name2-(4-but-3-en-2-yloxy-3-chlorophenyl)ethanamine
SMILESC=CC(C)Oc1ccc(CCN)cc1Cl
InChIInChI=1S/C12H16ClNO/c1-3-9(2)15-12-5-4-10(6-7-14)8-11(12)13/h3-5,8-9H,1,6-7,14H2,2H3
InChIKeyRWSIIVCLQIFITP-UHFFFAOYSA-N
XLogP2.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.79
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-[4-(2-aminoethyl)-2-chlorophenoxy]butanoic acid
CID 64661993
2-[3-chloro-4-(3-chloroprop-2-enoxy)phenyl]ethanamine
CID 76914655
1-(4-but-3-en-2-yloxy-3-fluorophenyl)propan-2-amine
CID 107693102
2-(3-chloro-4-ethenylphenyl)ethanamine
CID 130050942
2-[3-chloro-4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine
CID 64773168
2-[3-chloro-4-(3-methylbut-3-enoxy)phenyl]ethanamine
CID 114476300
2-(2-but-3-en-2-yloxy-4-propoxyphenyl)ethanamine
CID 62383803
2-[3-chloro-4-(3,5-dichlorophenoxy)phenyl]ethanamine
CID 81160567
2-(3-chloro-4-nonoxyphenyl)ethanamine
CID 63421979
2-[3-chloro-4-(5-chloro-2-methylphenoxy)phenyl]ethanamine
CID 81160082
2-[2-(3-chloro-4-propan-2-yloxyphenyl)ethyl]-1-(diaminomethylidene)guanidine
CID 2896331
2-[4-[(3-chloro-4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 82353296

Frequently Asked Questions

What is the IUPAC name of 2-(4-but-3-en-2-yloxy-3-chlorophenyl)ethanamine?
The IUPAC name of 2-(4-but-3-en-2-yloxy-3-chlorophenyl)ethanamine (CID 62384351) is 2-(4-but-3-en-2-yloxy-3-chlorophenyl)ethanamine.
What is the SMILES notation for 2-(4-but-3-en-2-yloxy-3-chlorophenyl)ethanamine?
The canonical SMILES for 2-(4-but-3-en-2-yloxy-3-chlorophenyl)ethanamine is C=CC(C)Oc1ccc(CCN)cc1Cl.
What is the InChIKey of 2-(4-but-3-en-2-yloxy-3-chlorophenyl)ethanamine?
The InChIKey is RWSIIVCLQIFITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-3-9(2)15-12-5-4-10(6-7-14)8-11(12)13/h3-5,8-9H,1,6-7,14H2,2H3.
What are the key properties of 2-(4-but-3-en-2-yloxy-3-chlorophenyl)ethanamine?
2-(4-but-3-en-2-yloxy-3-chlorophenyl)ethanamine has a molecular weight of 225.72 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-but-3-en-2-yloxy-3-chlorophenyl)ethanamine is sourced from PubChem (CID 62384351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).