(2,5-dichlorophenyl)-(2-methyloxan-2-yl)methanamine

C13H17Cl2NO — CID 80685344

IUPAC(2,5-dichlorophenyl)-(2-methyloxan-2-yl)methanamine
SMILESCC1(C(N)c2cc(Cl)ccc2Cl)CCCCO1
InChIInChI=1S/C13H17Cl2NO/c1-13(6-2-3-7-17-13)12(16)10-8-9(14)4-5-11(10)15/h4-5,8,12H,2-3,6-7,16H2,1H3
InChIKeyYBNCLORSCPLHHI-UHFFFAOYSA-N
MW274.19 g/mol
LogP3.95
Rot. Bonds2

About (2,5-dichlorophenyl)-(2-methyloxan-2-yl)methanamine

(2,5-dichlorophenyl)-(2-methyloxan-2-yl)methanamine (PubChem CID 80685344) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is (2,5-dichlorophenyl)-(2-methyloxan-2-yl)methanamine.

Molecular Properties

Compound Name(2,5-dichlorophenyl)-(2-methyloxan-2-yl)methanamine
PubChem CID80685344
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC Name(2,5-dichlorophenyl)-(2-methyloxan-2-yl)methanamine
SMILESCC1(C(N)c2cc(Cl)ccc2Cl)CCCCO1
InChIInChI=1S/C13H17Cl2NO/c1-13(6-2-3-7-17-13)12(16)10-8-9(14)4-5-11(10)15/h4-5,8,12H,2-3,6-7,16H2,1H3
InChIKeyYBNCLORSCPLHHI-UHFFFAOYSA-N
XLogP3.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloro-2-fluorophenyl)-(2-methyloxan-2-yl)methanamine
CID 80684717
2-[bromo-(1-methylcyclohexyl)methyl]-1,4-dichlorobenzene
CID 106828529
(2,5-dichlorophenyl)-(1-methylcyclohexyl)methanol
CID 106828313
(2-methyloxolan-2-yl)-(2,4,5-trifluorophenyl)methanamine
CID 103301746
(2,5-dichlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine
CID 79058950
[2-(4-chloro-2-fluorophenyl)-1-(2-methyloxan-2-yl)ethyl]hydrazine
CID 105256152
[(2-chloro-5-fluorophenyl)-(2-methyloxolan-2-yl)methyl]hydrazine
CID 105397915
2-(2,5-difluorophenyl)-1-(2-methyloxan-2-yl)ethanamine
CID 80684873
(2,4-dichlorophenyl)-(1-methylcyclopropyl)methanamine
CID 130517016
(2,5-dichlorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 66478207
1-[(2,5-dichlorophenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066890
2-(4-chlorophenyl)-1-(2-methyloxan-2-yl)ethanol
CID 80685016

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorophenyl)-(2-methyloxan-2-yl)methanamine?
The IUPAC name of (2,5-dichlorophenyl)-(2-methyloxan-2-yl)methanamine (CID 80685344) is (2,5-dichlorophenyl)-(2-methyloxan-2-yl)methanamine.
What is the SMILES notation for (2,5-dichlorophenyl)-(2-methyloxan-2-yl)methanamine?
The canonical SMILES for (2,5-dichlorophenyl)-(2-methyloxan-2-yl)methanamine is CC1(C(N)c2cc(Cl)ccc2Cl)CCCCO1.
What is the InChIKey of (2,5-dichlorophenyl)-(2-methyloxan-2-yl)methanamine?
The InChIKey is YBNCLORSCPLHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c1-13(6-2-3-7-17-13)12(16)10-8-9(14)4-5-11(10)15/h4-5,8,12H,2-3,6-7,16H2,1H3.
What are the key properties of (2,5-dichlorophenyl)-(2-methyloxan-2-yl)methanamine?
(2,5-dichlorophenyl)-(2-methyloxan-2-yl)methanamine has a molecular weight of 274.19 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorophenyl)-(2-methyloxan-2-yl)methanamine is sourced from PubChem (CID 80685344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).