4-(4-chlorophenoxy)but-2-en-1-amine

C10H12ClNO — CID 77110764

IUPAC4-(4-chlorophenoxy)but-2-en-1-amine
SMILESNCC=CCOc1ccc(Cl)cc1
InChIInChI=1S/C10H12ClNO/c11-9-3-5-10(6-4-9)13-8-2-1-7-12/h1-6H,7-8,12H2
InChIKeyAFBYAKFIGMCBEE-UHFFFAOYSA-N
MW197.66 g/mol
LogP2.23
Rot. Bonds4

About 4-(4-chlorophenoxy)but-2-en-1-amine

4-(4-chlorophenoxy)but-2-en-1-amine (PubChem CID 77110764) has the molecular formula C10H12ClNO and a molecular weight of 197.66 g/mol. Its IUPAC name is 4-(4-chlorophenoxy)but-2-en-1-amine.

Molecular Properties

Compound Name4-(4-chlorophenoxy)but-2-en-1-amine
PubChem CID77110764
Molecular FormulaC10H12ClNO
Molecular Weight197.66 g/mol
Exact Mass197.06
IUPAC Name4-(4-chlorophenoxy)but-2-en-1-amine
SMILESNCC=CCOc1ccc(Cl)cc1
InChIInChI=1S/C10H12ClNO/c11-9-3-5-10(6-4-9)13-8-2-1-7-12/h1-6H,7-8,12H2
InChIKeyAFBYAKFIGMCBEE-UHFFFAOYSA-N
XLogP2.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 52.23
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

4-[(E)-4-(4-chlorophenoxy)but-2-enoxy]aniline
CID 20519139
1-chloro-4-(3-chloroprop-2-enoxy)benzene
CID 4518340
4-phenoxybut-2-en-1-amine
CID 68864521
4-(4-aminobut-2-enoxy)benzamide
CID 77110813
[(E)-3-(4-chlorophenoxy)prop-1-enyl]-trimethylsilane
CID 177477896
3,5-dichloro-4-[4-(4-chlorophenoxy)but-2-enoxy]phenol
CID 54086688
4-[(E)-4-(4-aminophenoxy)but-2-enoxy]aniline
CID 23321989
3-[4-(4-chlorophenoxy)phenyl]prop-2-en-1-amine
CID 56978617
3-(4-chlorophenoxy)propan-1-amine;hydrochloride
CID 53439626
(E)-4-(4-chlorophenyl)but-2-en-1-amine
CID 105439819
(Z)-3-(4-chlorophenyl)prop-2-en-1-amine
CID 58952108
1-methoxy-4-[(E)-pent-2-enoxy]benzene
CID 176585225

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenoxy)but-2-en-1-amine?
The IUPAC name of 4-(4-chlorophenoxy)but-2-en-1-amine (CID 77110764) is 4-(4-chlorophenoxy)but-2-en-1-amine.
What is the SMILES notation for 4-(4-chlorophenoxy)but-2-en-1-amine?
The canonical SMILES for 4-(4-chlorophenoxy)but-2-en-1-amine is NCC=CCOc1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenoxy)but-2-en-1-amine?
The InChIKey is AFBYAKFIGMCBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c11-9-3-5-10(6-4-9)13-8-2-1-7-12/h1-6H,7-8,12H2.
What are the key properties of 4-(4-chlorophenoxy)but-2-en-1-amine?
4-(4-chlorophenoxy)but-2-en-1-amine has a molecular weight of 197.66 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenoxy)but-2-en-1-amine is sourced from PubChem (CID 77110764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).