N-[[4-(3,4-dichlorophenyl)oxan-4-yl]methyl]-2-methylpropan-2-amine

C16H23Cl2NO — CID 62594600

IUPACN-[[4-(3,4-dichlorophenyl)oxan-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(c2ccc(Cl)c(Cl)c2)CCOCC1
InChIInChI=1S/C16H23Cl2NO/c1-15(2,3)19-11-16(6-8-20-9-7-16)12-4-5-13(17)14(18)10-12/h4-5,10,19H,6-9,11H2,1-3H3
InChIKeySWUKVUVJCYGFCE-UHFFFAOYSA-N
MW316.27 g/mol
LogP4.43
Rot. Bonds3

About N-[[4-(3,4-dichlorophenyl)oxan-4-yl]methyl]-2-methylpropan-2-amine

N-[[4-(3,4-dichlorophenyl)oxan-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62594600) has the molecular formula C16H23Cl2NO and a molecular weight of 316.27 g/mol. Its IUPAC name is N-[[4-(3,4-dichlorophenyl)oxan-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-(3,4-dichlorophenyl)oxan-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID62594600
Molecular FormulaC16H23Cl2NO
Molecular Weight316.27 g/mol
Exact Mass315.12
IUPAC NameN-[[4-(3,4-dichlorophenyl)oxan-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(c2ccc(Cl)c(Cl)c2)CCOCC1
InChIInChI=1S/C16H23Cl2NO/c1-15(2,3)19-11-16(6-8-20-9-7-16)12-4-5-13(17)14(18)10-12/h4-5,10,19H,6-9,11H2,1-3H3
InChIKeySWUKVUVJCYGFCE-UHFFFAOYSA-N
XLogP4.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(3,4-dichlorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine
CID 62594601
N-[[4-(3,4-dichlorophenyl)oxan-4-yl]methyl]propan-2-amine
CID 62596994
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-methylpropan-2-amine
CID 62595127
N-[[1-(3,4-dichlorophenyl)-3,3-dimethylcyclobutyl]methyl]-2-methylpropan-2-amine
CID 64998076
2-methyl-N-[[4-(4-propan-2-ylphenyl)oxan-4-yl]methyl]propan-2-amine
CID 62594437
N-[[4-(3,4-dichlorophenyl)oxan-4-yl]methyl]-2-methoxyethanamine
CID 62594975
2-methyl-N-[[4-(3-methylphenyl)oxan-4-yl]methyl]propan-2-amine
CID 62594988
N-[[1-(3,4-dimethylphenyl)cyclopropyl]methyl]-2-methylpropan-2-amine
CID 62903683
4-(3,4-dichlorophenyl)oxane-4-carbonitrile
CID 43164277
tert-butyl N-[2-[4-(3,4-dichlorophenyl)oxan-4-yl]ethyl]-N-ethylcarbamate
CID 118673318
N-[[4-[(2,6-dichlorophenyl)methyl]oxan-4-yl]methyl]-2-methylpropan-2-amine
CID 62905045
N-[[1-(2,6-dichlorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine
CID 62595847

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3,4-dichlorophenyl)oxan-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-(3,4-dichlorophenyl)oxan-4-yl]methyl]-2-methylpropan-2-amine (CID 62594600) is N-[[4-(3,4-dichlorophenyl)oxan-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-(3,4-dichlorophenyl)oxan-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-(3,4-dichlorophenyl)oxan-4-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1(c2ccc(Cl)c(Cl)c2)CCOCC1.
What is the InChIKey of N-[[4-(3,4-dichlorophenyl)oxan-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is SWUKVUVJCYGFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2NO/c1-15(2,3)19-11-16(6-8-20-9-7-16)12-4-5-13(17)14(18)10-12/h4-5,10,19H,6-9,11H2,1-3H3.
What are the key properties of N-[[4-(3,4-dichlorophenyl)oxan-4-yl]methyl]-2-methylpropan-2-amine?
N-[[4-(3,4-dichlorophenyl)oxan-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 316.27 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3,4-dichlorophenyl)oxan-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62594600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).