N-[(2,5-dichlorophenyl)methyl]-2,2-dimethyloxan-4-amine

C14H19Cl2NO — CID 113336602

IUPACN-[(2,5-dichlorophenyl)methyl]-2,2-dimethyloxan-4-amine
SMILESCC1(C)CC(NCc2cc(Cl)ccc2Cl)CCO1
InChIInChI=1S/C14H19Cl2NO/c1-14(2)8-12(5-6-18-14)17-9-10-7-11(15)3-4-13(10)16/h3-4,7,12,17H,5-6,8-9H2,1-2H3
InChIKeyLGYRTSMGZMJMED-UHFFFAOYSA-N
MW288.22 g/mol
LogP4.04
Rot. Bonds3

About N-[(2,5-dichlorophenyl)methyl]-2,2-dimethyloxan-4-amine

N-[(2,5-dichlorophenyl)methyl]-2,2-dimethyloxan-4-amine (PubChem CID 113336602) has the molecular formula C14H19Cl2NO and a molecular weight of 288.22 g/mol. Its IUPAC name is N-[(2,5-dichlorophenyl)methyl]-2,2-dimethyloxan-4-amine.

Molecular Properties

Compound NameN-[(2,5-dichlorophenyl)methyl]-2,2-dimethyloxan-4-amine
PubChem CID113336602
Molecular FormulaC14H19Cl2NO
Molecular Weight288.22 g/mol
Exact Mass287.08
IUPAC NameN-[(2,5-dichlorophenyl)methyl]-2,2-dimethyloxan-4-amine
SMILESCC1(C)CC(NCc2cc(Cl)ccc2Cl)CCO1
InChIInChI=1S/C14H19Cl2NO/c1-14(2)8-12(5-6-18-14)17-9-10-7-11(15)3-4-13(10)16/h3-4,7,12,17H,5-6,8-9H2,1-2H3
InChIKeyLGYRTSMGZMJMED-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dichlorophenyl)-2-[(2,2-dimethyloxan-4-yl)amino]ethanol
CID 83033246
N-[(2,4-dimethylphenyl)methyl]-2,2-dimethyloxan-4-amine
CID 115563698
N-[(3-chloro-5-fluorophenyl)methyl]-2,2-dimethyloxan-4-amine
CID 114453071
N-[(5-chloroquinolin-8-yl)methyl]-2,2-dimethyloxan-4-amine
CID 115764370
N-[(2,5-dimethylthiophen-3-yl)methyl]-2,2-dimethyloxan-4-amine
CID 115563621
4-bromo-2-[[(2,2-dimethyloxan-4-yl)amino]methyl]phenol
CID 103846797
N-[(2-chloro-5-fluorophenyl)methyl]-2,2-diethyloxan-4-amine
CID 102615898
N-[(2,5-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 65316304
N-[(4-ethylphenyl)methyl]-2,2-dimethyloxan-4-amine
CID 115563697
(4R)-N-(4-chlorophenyl)-2,2-dimethyloxan-4-amine
CID 40899638
4-chloro-1-N-(2,2-dimethyloxan-4-yl)benzene-1,2-diamine
CID 83027979
N-[2-[[(2,2-dimethyloxan-4-yl)amino]methyl]phenyl]acetamide
CID 115563696

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dichlorophenyl)methyl]-2,2-dimethyloxan-4-amine?
The IUPAC name of N-[(2,5-dichlorophenyl)methyl]-2,2-dimethyloxan-4-amine (CID 113336602) is N-[(2,5-dichlorophenyl)methyl]-2,2-dimethyloxan-4-amine.
What is the SMILES notation for N-[(2,5-dichlorophenyl)methyl]-2,2-dimethyloxan-4-amine?
The canonical SMILES for N-[(2,5-dichlorophenyl)methyl]-2,2-dimethyloxan-4-amine is CC1(C)CC(NCc2cc(Cl)ccc2Cl)CCO1.
What is the InChIKey of N-[(2,5-dichlorophenyl)methyl]-2,2-dimethyloxan-4-amine?
The InChIKey is LGYRTSMGZMJMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO/c1-14(2)8-12(5-6-18-14)17-9-10-7-11(15)3-4-13(10)16/h3-4,7,12,17H,5-6,8-9H2,1-2H3.
What are the key properties of N-[(2,5-dichlorophenyl)methyl]-2,2-dimethyloxan-4-amine?
N-[(2,5-dichlorophenyl)methyl]-2,2-dimethyloxan-4-amine has a molecular weight of 288.22 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dichlorophenyl)methyl]-2,2-dimethyloxan-4-amine is sourced from PubChem (CID 113336602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).