N-[(2,4-dichlorophenyl)methyl]-1-(oxan-4-yl)ethanamine

C14H19Cl2NO — CID 103768975

IUPACN-[(2,4-dichlorophenyl)methyl]-1-(oxan-4-yl)ethanamine
SMILESCC(NCc1ccc(Cl)cc1Cl)C1CCOCC1
InChIInChI=1S/C14H19Cl2NO/c1-10(11-4-6-18-7-5-11)17-9-12-2-3-13(15)8-14(12)16/h2-3,8,10-11,17H,4-7,9H2,1H3
InChIKeyMDYWWVJLJHDXRL-UHFFFAOYSA-N
MW288.22 g/mol
LogP3.90
Rot. Bonds4

About N-[(2,4-dichlorophenyl)methyl]-1-(oxan-4-yl)ethanamine

N-[(2,4-dichlorophenyl)methyl]-1-(oxan-4-yl)ethanamine (PubChem CID 103768975) has the molecular formula C14H19Cl2NO and a molecular weight of 288.22 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-1-(oxan-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-1-(oxan-4-yl)ethanamine
PubChem CID103768975
Molecular FormulaC14H19Cl2NO
Molecular Weight288.22 g/mol
Exact Mass287.08
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-1-(oxan-4-yl)ethanamine
SMILESCC(NCc1ccc(Cl)cc1Cl)C1CCOCC1
InChIInChI=1S/C14H19Cl2NO/c1-10(11-4-6-18-7-5-11)17-9-12-2-3-13(15)8-14(12)16/h2-3,8,10-11,17H,4-7,9H2,1H3
InChIKeyMDYWWVJLJHDXRL-UHFFFAOYSA-N
XLogP3.90
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 ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-[[1-(oxan-4-yl)ethylamino]methyl]benzonitrile
CID 102676331
N-[(2-bromo-5-chlorophenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115660141
N-[(4-chloro-3-fluorophenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103769034
(1S)-1-cyclohexyl-N-[(2,5-dichlorophenyl)methyl]ethanamine
CID 81384496
N-[(2-chloro-5-nitrophenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103768954
1-(2,4-dichlorophenyl)-N-methyl-3-(oxan-4-yl)propan-2-amine
CID 62601524
N-[(2,4-dichlorophenyl)methyl]-1-morpholin-4-ylpropan-2-amine
CID 43675759
(1S)-N-[(4-bromo-2-chlorophenyl)methyl]-1-cyclohexylethanamine
CID 104862320
N-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103769004
2-amino-N-[(2,4-dichlorophenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783069
N-[(2,5-dimethylthiophen-3-yl)methyl]-1-(oxan-4-yl)ethanamine
CID 113258289
N-[(4-chlorophenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655135

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-1-(oxan-4-yl)ethanamine?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-1-(oxan-4-yl)ethanamine (CID 103768975) is N-[(2,4-dichlorophenyl)methyl]-1-(oxan-4-yl)ethanamine.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-1-(oxan-4-yl)ethanamine?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-1-(oxan-4-yl)ethanamine is CC(NCc1ccc(Cl)cc1Cl)C1CCOCC1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-1-(oxan-4-yl)ethanamine?
The InChIKey is MDYWWVJLJHDXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO/c1-10(11-4-6-18-7-5-11)17-9-12-2-3-13(15)8-14(12)16/h2-3,8,10-11,17H,4-7,9H2,1H3.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-1-(oxan-4-yl)ethanamine?
N-[(2,4-dichlorophenyl)methyl]-1-(oxan-4-yl)ethanamine has a molecular weight of 288.22 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-1-(oxan-4-yl)ethanamine is sourced from PubChem (CID 103768975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).