N-[[4-[(2,6-dichlorophenyl)methyl]oxan-4-yl]methyl]-2-methylpropan-2-amine

C17H25Cl2NO — CID 62905045

IUPACN-[[4-[(2,6-dichlorophenyl)methyl]oxan-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(Cc2c(Cl)cccc2Cl)CCOCC1
InChIInChI=1S/C17H25Cl2NO/c1-16(2,3)20-12-17(7-9-21-10-8-17)11-13-14(18)5-4-6-15(13)19/h4-6,20H,7-12H2,1-3H3
InChIKeyPAGSWLUCMWJEEA-UHFFFAOYSA-N
MW330.30 g/mol
LogP4.72
Rot. Bonds4

About N-[[4-[(2,6-dichlorophenyl)methyl]oxan-4-yl]methyl]-2-methylpropan-2-amine

N-[[4-[(2,6-dichlorophenyl)methyl]oxan-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62905045) has the molecular formula C17H25Cl2NO and a molecular weight of 330.30 g/mol. Its IUPAC name is N-[[4-[(2,6-dichlorophenyl)methyl]oxan-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-[(2,6-dichlorophenyl)methyl]oxan-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID62905045
Molecular FormulaC17H25Cl2NO
Molecular Weight330.30 g/mol
Exact Mass329.13
IUPAC NameN-[[4-[(2,6-dichlorophenyl)methyl]oxan-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(Cc2c(Cl)cccc2Cl)CCOCC1
InChIInChI=1S/C17H25Cl2NO/c1-16(2,3)20-12-17(7-9-21-10-8-17)11-13-14(18)5-4-6-15(13)19/h4-6,20H,7-12H2,1-3H3
InChIKeyPAGSWLUCMWJEEA-UHFFFAOYSA-N
XLogP4.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.30
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-benzyloxolan-3-yl)methyl]-2-methylpropan-2-amine
CID 62719389
N-[[3-[(3-chlorophenyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 62719571
N-[[1-[(3-chloro-2-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine
CID 102859004
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-methylpropan-2-amine
CID 62595127
N-[[1-(2,6-dichlorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine
CID 62595847
2-methyl-N-[[3-[(3-methylphenyl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 62718039
N-[[4-[(2-chlorophenyl)methyl]oxan-4-yl]methyl]ethanamine
CID 62904848
N-[[4-(3,4-dichlorophenyl)oxan-4-yl]methyl]-2-methylpropan-2-amine
CID 62594600
N-[(1-benzylcyclobutyl)methyl]-2-methylpropan-2-amine
CID 65194402
N-[[3-[(2-chloro-6-fluorophenyl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 62718517
N-[[4-[(1-ethylpyrazol-4-yl)methyl]oxan-4-yl]methyl]-2-methylpropan-2-amine
CID 62904878
2-methyl-N-[[4-(3-methylphenyl)oxan-4-yl]methyl]propan-2-amine
CID 62594988

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2,6-dichlorophenyl)methyl]oxan-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-[(2,6-dichlorophenyl)methyl]oxan-4-yl]methyl]-2-methylpropan-2-amine (CID 62905045) is N-[[4-[(2,6-dichlorophenyl)methyl]oxan-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-[(2,6-dichlorophenyl)methyl]oxan-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-[(2,6-dichlorophenyl)methyl]oxan-4-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1(Cc2c(Cl)cccc2Cl)CCOCC1.
What is the InChIKey of N-[[4-[(2,6-dichlorophenyl)methyl]oxan-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is PAGSWLUCMWJEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl2NO/c1-16(2,3)20-12-17(7-9-21-10-8-17)11-13-14(18)5-4-6-15(13)19/h4-6,20H,7-12H2,1-3H3.
What are the key properties of N-[[4-[(2,6-dichlorophenyl)methyl]oxan-4-yl]methyl]-2-methylpropan-2-amine?
N-[[4-[(2,6-dichlorophenyl)methyl]oxan-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 330.30 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2,6-dichlorophenyl)methyl]oxan-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62905045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).