N-[(2,6-dichlorophenyl)-(oxan-3-yl)methyl]ethanamine

C14H19Cl2NO — CID 107139269

IUPACN-[(2,6-dichlorophenyl)-(oxan-3-yl)methyl]ethanamine
SMILESCCNC(c1c(Cl)cccc1Cl)C1CCCOC1
InChIInChI=1S/C14H19Cl2NO/c1-2-17-14(10-5-4-8-18-9-10)13-11(15)6-3-7-12(13)16/h3,6-7,10,14,17H,2,4-5,8-9H2,1H3
InChIKeyPXHDQQWJBSJQRZ-UHFFFAOYSA-N
MW288.22 g/mol
LogP4.07
Rot. Bonds4

About N-[(2,6-dichlorophenyl)-(oxan-3-yl)methyl]ethanamine

N-[(2,6-dichlorophenyl)-(oxan-3-yl)methyl]ethanamine (PubChem CID 107139269) has the molecular formula C14H19Cl2NO and a molecular weight of 288.22 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)-(oxan-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)-(oxan-3-yl)methyl]ethanamine
PubChem CID107139269
Molecular FormulaC14H19Cl2NO
Molecular Weight288.22 g/mol
Exact Mass287.08
IUPAC NameN-[(2,6-dichlorophenyl)-(oxan-3-yl)methyl]ethanamine
SMILESCCNC(c1c(Cl)cccc1Cl)C1CCCOC1
InChIInChI=1S/C14H19Cl2NO/c1-2-17-14(10-5-4-8-18-9-10)13-11(15)6-3-7-12(13)16/h3,6-7,10,14,17H,2,4-5,8-9H2,1H3
InChIKeyPXHDQQWJBSJQRZ-UHFFFAOYSA-N
XLogP4.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[oxan-3-yl-(2,3,4,5,6-pentafluorophenyl)methyl]ethanamine
CID 107139188
N-[(5-chlorothiophen-2-yl)-(oxan-3-yl)methyl]ethanamine
CID 63012736
N-[(3-methylphenyl)-(oxan-3-yl)methyl]ethanamine
CID 65331704
N-[(2-fluoro-3-methylphenyl)-(oxan-3-yl)methyl]ethanamine
CID 107137030
N-[(3-chloro-2-fluorophenyl)-(oxolan-3-yl)methyl]ethanamine
CID 64713292
N-[(4-chloro-2,5-difluorophenyl)-(oxan-3-yl)methyl]ethanamine
CID 107138788
N-[(5-methylfuran-2-yl)-(oxan-3-yl)methyl]ethanamine
CID 63015763
N-[(2,6-dichlorophenyl)-(3-ethylcyclohexyl)methyl]ethanamine
CID 104992303
N-[oxan-3-yl-[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 65332476
N-[1-benzothiophen-7-yl(oxan-3-yl)methyl]ethanamine
CID 81153499
N-[(4-cyclobutylphenyl)-(oxan-3-yl)methyl]ethanamine
CID 116506203
N-[oxan-3-yl-(2,4,5-trimethylphenyl)methyl]ethanamine
CID 65332034

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)-(oxan-3-yl)methyl]ethanamine?
The IUPAC name of N-[(2,6-dichlorophenyl)-(oxan-3-yl)methyl]ethanamine (CID 107139269) is N-[(2,6-dichlorophenyl)-(oxan-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2,6-dichlorophenyl)-(oxan-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(2,6-dichlorophenyl)-(oxan-3-yl)methyl]ethanamine is CCNC(c1c(Cl)cccc1Cl)C1CCCOC1.
What is the InChIKey of N-[(2,6-dichlorophenyl)-(oxan-3-yl)methyl]ethanamine?
The InChIKey is PXHDQQWJBSJQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO/c1-2-17-14(10-5-4-8-18-9-10)13-11(15)6-3-7-12(13)16/h3,6-7,10,14,17H,2,4-5,8-9H2,1H3.
What are the key properties of N-[(2,6-dichlorophenyl)-(oxan-3-yl)methyl]ethanamine?
N-[(2,6-dichlorophenyl)-(oxan-3-yl)methyl]ethanamine has a molecular weight of 288.22 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dichlorophenyl)-(oxan-3-yl)methyl]ethanamine is sourced from PubChem (CID 107139269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).