N-[[2-chloro-6-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]methyl]propan-1-amine

C14H19Cl2NO — CID 106437071

IUPACN-[[2-chloro-6-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1c(Cl)cccc1OC/C(C)=C/Cl
InChIInChI=1S/C14H19Cl2NO/c1-3-7-17-9-12-13(16)5-4-6-14(12)18-10-11(2)8-15/h4-6,8,17H,3,7,9-10H2,1-2H3/b11-8+
InChIKeyDWDWUDCMIQEZJK-DHZHZOJOSA-N
MW288.22 g/mol
LogP4.36
Rot. Bonds7

About N-[[2-chloro-6-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]methyl]propan-1-amine

N-[[2-chloro-6-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]methyl]propan-1-amine (PubChem CID 106437071) has the molecular formula C14H19Cl2NO and a molecular weight of 288.22 g/mol. Its IUPAC name is N-[[2-chloro-6-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-chloro-6-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]methyl]propan-1-amine
PubChem CID106437071
Molecular FormulaC14H19Cl2NO
Molecular Weight288.22 g/mol
Exact Mass287.08
IUPAC NameN-[[2-chloro-6-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1c(Cl)cccc1OC/C(C)=C/Cl
InChIInChI=1S/C14H19Cl2NO/c1-3-7-17-9-12-13(16)5-4-6-14(12)18-10-11(2)8-15/h4-6,8,17H,3,7,9-10H2,1-2H3/b11-8+
InChIKeyDWDWUDCMIQEZJK-DHZHZOJOSA-N
XLogP4.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-chloro-6-[(Z)-3-chloro-2-methylprop-2-enoxy]phenyl]methyl]cyclopropanamine
CID 114188741
[2-chloro-6-[(Z)-3-chloro-2-methylprop-2-enoxy]phenyl]methanamine
CID 106437069
N-[(2-chloro-6-octoxyphenyl)methyl]propan-1-amine
CID 114319420
methyl 3-[3-chloro-2-(propylaminomethyl)phenoxy]-2,2-dimethylpropanoate
CID 114319500
2-[2-[3-chloro-2-(propylaminomethyl)phenoxy]ethoxy]ethanol
CID 114319540
N-[(2,6-dichlorophenyl)methyl]propan-1-amine;hydrochloride
CID 17290865
N-[[2-chloro-6-[(4-methylphenyl)methoxy]phenyl]methyl]propan-1-amine
CID 114319406
2-[3-chloro-2-[(2-methoxyethylamino)methyl]phenoxy]-N-propylacetamide
CID 114320191
N-[[2-chloro-6-(pyridin-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 114319478
N-[(2-chloro-6-propoxyphenyl)methyl]-2-methoxyethanamine
CID 114320190
N-[(2-chloro-6-pyridin-3-yloxyphenyl)methyl]propan-1-amine
CID 43283704
N-[[2-chloro-6-(4-ethylphenoxy)phenyl]methyl]propan-1-amine
CID 43282834

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-6-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-chloro-6-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]methyl]propan-1-amine (CID 106437071) is N-[[2-chloro-6-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-chloro-6-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-chloro-6-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]methyl]propan-1-amine is CCCNCc1c(Cl)cccc1OC/C(C)=C/Cl.
What is the InChIKey of N-[[2-chloro-6-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]methyl]propan-1-amine?
The InChIKey is DWDWUDCMIQEZJK-DHZHZOJOSA-N. The full InChI is InChI=1S/C14H19Cl2NO/c1-3-7-17-9-12-13(16)5-4-6-14(12)18-10-11(2)8-15/h4-6,8,17H,3,7,9-10H2,1-2H3/b11-8+.
What are the key properties of N-[[2-chloro-6-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]methyl]propan-1-amine?
N-[[2-chloro-6-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]methyl]propan-1-amine has a molecular weight of 288.22 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-6-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 106437071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).