N-[(3,5-dichlorophenyl)methyl]-1-(oxan-2-yl)methanamine

C13H17Cl2NO — CID 55014706

IUPACN-[(3,5-dichlorophenyl)methyl]-1-(oxan-2-yl)methanamine
SMILESClc1cc(Cl)cc(CNCC2CCCCO2)c1
InChIInChI=1S/C13H17Cl2NO/c14-11-5-10(6-12(15)7-11)8-16-9-13-3-1-2-4-17-13/h5-7,13,16H,1-4,8-9H2
InChIKeyYPRWCSNYWMUHON-UHFFFAOYSA-N
MW274.19 g/mol
LogP3.65
Rot. Bonds4

About N-[(3,5-dichlorophenyl)methyl]-1-(oxan-2-yl)methanamine

N-[(3,5-dichlorophenyl)methyl]-1-(oxan-2-yl)methanamine (PubChem CID 55014706) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is N-[(3,5-dichlorophenyl)methyl]-1-(oxan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(3,5-dichlorophenyl)methyl]-1-(oxan-2-yl)methanamine
PubChem CID55014706
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC NameN-[(3,5-dichlorophenyl)methyl]-1-(oxan-2-yl)methanamine
SMILESClc1cc(Cl)cc(CNCC2CCCCO2)c1
InChIInChI=1S/C13H17Cl2NO/c14-11-5-10(6-12(15)7-11)8-16-9-13-3-1-2-4-17-13/h5-7,13,16H,1-4,8-9H2
InChIKeyYPRWCSNYWMUHON-UHFFFAOYSA-N
XLogP3.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dichloro-4-[(oxolan-2-ylmethylamino)methyl]aniline
CID 82833111
N-[(4-chlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 787812
N-[(3-bromo-5-fluorophenyl)methyl]-1-(oxan-2-yl)methanamine
CID 79710773
N-[(3,5-dimethoxyphenyl)methyl]-1-(oxan-2-yl)methanamine
CID 54948810
N-[(3,4-dichlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 7324570
N-[(3,4-dimethylphenyl)methyl]-1-(oxan-2-yl)methanamine
CID 55014332
N-[(6-chloro-3-pyridinyl)methyl]-1-(oxan-2-yl)methanamine
CID 115683652
1-cyclohexyl-N-[(3,5-dichlorophenyl)methyl]methanamine
CID 60789647
N-[(3-chloro-4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 63195312
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 7458136
N-[[4-(chloromethyl)phenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 107232896
2-[(3,5-dichlorophenyl)methyl]oxolane
CID 173052103

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichlorophenyl)methyl]-1-(oxan-2-yl)methanamine?
The IUPAC name of N-[(3,5-dichlorophenyl)methyl]-1-(oxan-2-yl)methanamine (CID 55014706) is N-[(3,5-dichlorophenyl)methyl]-1-(oxan-2-yl)methanamine.
What is the SMILES notation for N-[(3,5-dichlorophenyl)methyl]-1-(oxan-2-yl)methanamine?
The canonical SMILES for N-[(3,5-dichlorophenyl)methyl]-1-(oxan-2-yl)methanamine is Clc1cc(Cl)cc(CNCC2CCCCO2)c1.
What is the InChIKey of N-[(3,5-dichlorophenyl)methyl]-1-(oxan-2-yl)methanamine?
The InChIKey is YPRWCSNYWMUHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c14-11-5-10(6-12(15)7-11)8-16-9-13-3-1-2-4-17-13/h5-7,13,16H,1-4,8-9H2.
What are the key properties of N-[(3,5-dichlorophenyl)methyl]-1-(oxan-2-yl)methanamine?
N-[(3,5-dichlorophenyl)methyl]-1-(oxan-2-yl)methanamine has a molecular weight of 274.19 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichlorophenyl)methyl]-1-(oxan-2-yl)methanamine is sourced from PubChem (CID 55014706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).