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

C16H24ClNO — CID 62595127

IUPACN-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(c2cccc(Cl)c2)CCOCC1
InChIInChI=1S/C16H24ClNO/c1-15(2,3)18-12-16(7-9-19-10-8-16)13-5-4-6-14(17)11-13/h4-6,11,18H,7-10,12H2,1-3H3
InChIKeyZWAVTUHSSIUCMA-UHFFFAOYSA-N
MW281.83 g/mol
LogP3.78
Rot. Bonds3

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

N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62595127) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID62595127
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC NameN-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(c2cccc(Cl)c2)CCOCC1
InChIInChI=1S/C16H24ClNO/c1-15(2,3)18-12-16(7-9-19-10-8-16)13-5-4-6-14(17)11-13/h4-6,11,18H,7-10,12H2,1-3H3
InChIKeyZWAVTUHSSIUCMA-UHFFFAOYSA-N
XLogP3.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[[4-(3-methylphenyl)oxan-4-yl]methyl]propan-2-amine
CID 62594988
N-[[4-(3,4-dichlorophenyl)oxan-4-yl]methyl]-2-methylpropan-2-amine
CID 62594600
N-[[2-(3-chlorophenyl)spiro[3.4]octan-2-yl]methyl]-2-methylpropan-2-amine
CID 65002677
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-6-methylpyridin-2-amine
CID 133482369
(2R)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-methylbutanamide
CID 94643933
(2R)-2-amino-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]propanamide;hydrochloride
CID 119303940
2-methyl-N-[[4-(4-propan-2-ylphenyl)oxan-4-yl]methyl]propan-2-amine
CID 62594437
N-[[3-[(3-chlorophenyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 62719571
[4-[[4-(3-chlorophenyl)oxan-4-yl]methylamino]-3-pyridinyl]methanol
CID 154784297
(2S)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-ethoxybutanamide
CID 94669671
tert-butyl N-[2-[[N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-N'-methylcarbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111884190
N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine
CID 62595883

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-methylpropan-2-amine (CID 62595127) is N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1(c2cccc(Cl)c2)CCOCC1.
What is the InChIKey of N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is ZWAVTUHSSIUCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-15(2,3)18-12-16(7-9-19-10-8-16)13-5-4-6-14(17)11-13/h4-6,11,18H,7-10,12H2,1-3H3.
What are the key properties of N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-methylpropan-2-amine?
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 281.83 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62595127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).