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

C15H21Cl2NO — CID 55131600

IUPACN-[[4-[(2,4-dichlorophenyl)methyl]oxan-4-yl]methyl]ethanamine
SMILESCCNCC1(Cc2ccc(Cl)cc2Cl)CCOCC1
InChIInChI=1S/C15H21Cl2NO/c1-2-18-11-15(5-7-19-8-6-15)10-12-3-4-13(16)9-14(12)17/h3-4,9,18H,2,5-8,10-11H2,1H3
InChIKeySULWKNWRFSSSKI-UHFFFAOYSA-N
MW302.24 g/mol
LogP3.94
Rot. Bonds5

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

N-[[4-[(2,4-dichlorophenyl)methyl]oxan-4-yl]methyl]ethanamine (PubChem CID 55131600) has the molecular formula C15H21Cl2NO and a molecular weight of 302.24 g/mol. Its IUPAC name is N-[[4-[(2,4-dichlorophenyl)methyl]oxan-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-[(2,4-dichlorophenyl)methyl]oxan-4-yl]methyl]ethanamine
PubChem CID55131600
Molecular FormulaC15H21Cl2NO
Molecular Weight302.24 g/mol
Exact Mass301.10
IUPAC NameN-[[4-[(2,4-dichlorophenyl)methyl]oxan-4-yl]methyl]ethanamine
SMILESCCNCC1(Cc2ccc(Cl)cc2Cl)CCOCC1
InChIInChI=1S/C15H21Cl2NO/c1-2-18-11-15(5-7-19-8-6-15)10-12-3-4-13(16)9-14(12)17/h3-4,9,18H,2,5-8,10-11H2,1H3
InChIKeySULWKNWRFSSSKI-UHFFFAOYSA-N
XLogP3.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-[(2-chlorophenyl)methyl]oxan-4-yl]methyl]ethanamine
CID 62904848
N-[[2-cyclopropyl-3-[(2,4-dichlorophenyl)methyl]oxolan-3-yl]methyl]ethanamine
CID 104509663
1-[1-[(2,4-dichlorophenyl)methyl]cyclohexyl]-N-methylmethanamine
CID 55194513
[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]methanol
CID 66025200
N-[[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]methyl]cyclopropanamine
CID 66026019
N-[[3-[(2-fluorophenyl)methyl]oxolan-3-yl]methyl]ethanamine
CID 55111300
[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]methanamine
CID 65194915
3-[(2,4-dichlorophenyl)methyl]oxolan-3-amine
CID 65020052
N-[(4-ethyloxan-4-yl)methyl]ethanamine
CID 62907127
[2-(2,4-dichlorophenyl)-1-(4-ethoxyoxan-4-yl)ethyl]hydrazine
CID 105276920
1-(4-chloro-2-methylphenyl)-N-[[4-(methylsulfonylmethyl)oxan-4-yl]methyl]methanamine
CID 86794725
2-[(2,4-dichlorophenyl)methyl]-1-[[4-(dimethylamino)oxan-4-yl]methyl]-3-ethylguanidine
CID 111782195

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2,4-dichlorophenyl)methyl]oxan-4-yl]methyl]ethanamine?
The IUPAC name of N-[[4-[(2,4-dichlorophenyl)methyl]oxan-4-yl]methyl]ethanamine (CID 55131600) is N-[[4-[(2,4-dichlorophenyl)methyl]oxan-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-[(2,4-dichlorophenyl)methyl]oxan-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-[(2,4-dichlorophenyl)methyl]oxan-4-yl]methyl]ethanamine is CCNCC1(Cc2ccc(Cl)cc2Cl)CCOCC1.
What is the InChIKey of N-[[4-[(2,4-dichlorophenyl)methyl]oxan-4-yl]methyl]ethanamine?
The InChIKey is SULWKNWRFSSSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO/c1-2-18-11-15(5-7-19-8-6-15)10-12-3-4-13(16)9-14(12)17/h3-4,9,18H,2,5-8,10-11H2,1H3.
What are the key properties of N-[[4-[(2,4-dichlorophenyl)methyl]oxan-4-yl]methyl]ethanamine?
N-[[4-[(2,4-dichlorophenyl)methyl]oxan-4-yl]methyl]ethanamine has a molecular weight of 302.24 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2,4-dichlorophenyl)methyl]oxan-4-yl]methyl]ethanamine is sourced from PubChem (CID 55131600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).