6-chloro-N,N-bis(prop-2-enyl)-4H-1,3-benzoxazin-2-amine

C14H15ClN2O — CID 23349414

IUPAC6-chloro-N,N-bis(prop-2-enyl)-4H-1,3-benzoxazin-2-amine
SMILESC=CCN(CC=C)C1=NCc2cc(Cl)ccc2O1
InChIInChI=1S/C14H15ClN2O/c1-3-7-17(8-4-2)14-16-10-11-9-12(15)5-6-13(11)18-14/h3-6,9H,1-2,7-8,10H2
InChIKeyOOYHXLJHCXOOMP-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.26
Rot. Bonds4

About 6-chloro-N,N-bis(prop-2-enyl)-4H-1,3-benzoxazin-2-amine

6-chloro-N,N-bis(prop-2-enyl)-4H-1,3-benzoxazin-2-amine (PubChem CID 23349414) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 6-chloro-N,N-bis(prop-2-enyl)-4H-1,3-benzoxazin-2-amine.

Molecular Properties

Compound Name6-chloro-N,N-bis(prop-2-enyl)-4H-1,3-benzoxazin-2-amine
PubChem CID23349414
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name6-chloro-N,N-bis(prop-2-enyl)-4H-1,3-benzoxazin-2-amine
SMILESC=CCN(CC=C)C1=NCc2cc(Cl)ccc2O1
InChIInChI=1S/C14H15ClN2O/c1-3-7-17(8-4-2)14-16-10-11-9-12(15)5-6-13(11)18-14/h3-6,9H,1-2,7-8,10H2
InChIKeyOOYHXLJHCXOOMP-UHFFFAOYSA-N
XLogP3.26
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-Chloro-3-cyclohexyl-3,4-dihydro-2H-1,3-benzoxazine
CID 543980
6-Chloro-3,4-dihydro-3-(phenylmethyl)-2H-1,3-benzoxazine
CID 562369
3-Butyl-6-chloro-2,4-dihydro-1,3-benzoxazine
CID 46192450
1-[(5-Chloro-2-methoxyphenyl)methyl]piperidine
CID 838248
N'-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]morpholine-4-carboximidamide
CID 75494601
2-[[5-Chloro-2-(difluoromethoxy)phenyl]methyl]-1-cyclopropyl-1-methylguanidine
CID 110031037
2-[[5-Chloro-2-(difluoromethoxy)phenyl]methyl]-1,3-diethylguanidine
CID 111498158
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 111498160
1-[[5-Chloro-2-(difluoromethoxy)phenyl]methyl]-2,3-dimethylguanidine
CID 111498162
2-[[5-Chloro-2-(difluoromethoxy)phenyl]methyl]guanidine
CID 111498166
2-[[5-Chloro-2-(difluoromethoxy)phenyl]methyl]-1-ethyl-3-prop-2-enylguanidine
CID 111548465
2-[[5-Chloro-2-(difluoromethoxy)phenyl]methyl]-1-(2-methylprop-2-enyl)guanidine
CID 111708611

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,N-bis(prop-2-enyl)-4H-1,3-benzoxazin-2-amine?
The IUPAC name of 6-chloro-N,N-bis(prop-2-enyl)-4H-1,3-benzoxazin-2-amine (CID 23349414) is 6-chloro-N,N-bis(prop-2-enyl)-4H-1,3-benzoxazin-2-amine.
What is the SMILES notation for 6-chloro-N,N-bis(prop-2-enyl)-4H-1,3-benzoxazin-2-amine?
The canonical SMILES for 6-chloro-N,N-bis(prop-2-enyl)-4H-1,3-benzoxazin-2-amine is C=CCN(CC=C)C1=NCc2cc(Cl)ccc2O1.
What is the InChIKey of 6-chloro-N,N-bis(prop-2-enyl)-4H-1,3-benzoxazin-2-amine?
The InChIKey is OOYHXLJHCXOOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-3-7-17(8-4-2)14-16-10-11-9-12(15)5-6-13(11)18-14/h3-6,9H,1-2,7-8,10H2.
What are the key properties of 6-chloro-N,N-bis(prop-2-enyl)-4H-1,3-benzoxazin-2-amine?
6-chloro-N,N-bis(prop-2-enyl)-4H-1,3-benzoxazin-2-amine has a molecular weight of 262.74 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,N-bis(prop-2-enyl)-4H-1,3-benzoxazin-2-amine is sourced from PubChem (CID 23349414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).