N-[[2-(4-chlorophenyl)oxan-3-yl]methyl]-2-methylpropan-1-amine

C16H24ClNO — CID 79364574

IUPACN-[[2-(4-chlorophenyl)oxan-3-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCCOC1c1ccc(Cl)cc1
InChIInChI=1S/C16H24ClNO/c1-12(2)10-18-11-14-4-3-9-19-16(14)13-5-7-15(17)8-6-13/h5-8,12,14,16,18H,3-4,9-11H2,1-2H3
InChIKeyTWOAOGHPFZZWPS-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.05
Rot. Bonds5

About N-[[2-(4-chlorophenyl)oxan-3-yl]methyl]-2-methylpropan-1-amine

N-[[2-(4-chlorophenyl)oxan-3-yl]methyl]-2-methylpropan-1-amine (PubChem CID 79364574) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is N-[[2-(4-chlorophenyl)oxan-3-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(4-chlorophenyl)oxan-3-yl]methyl]-2-methylpropan-1-amine
PubChem CID79364574
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC NameN-[[2-(4-chlorophenyl)oxan-3-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCCOC1c1ccc(Cl)cc1
InChIInChI=1S/C16H24ClNO/c1-12(2)10-18-11-14-4-3-9-19-16(14)13-5-7-15(17)8-6-13/h5-8,12,14,16,18H,3-4,9-11H2,1-2H3
InChIKeyTWOAOGHPFZZWPS-UHFFFAOYSA-N
XLogP4.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(4-chloro-3-fluorophenyl)oxan-3-yl]methyl]-2-methylpropan-1-amine
CID 79365307
N-[[2-(4-chlorophenyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81023967
N-[[2-(3-bromo-4-chlorophenyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 83241634
N-[[2-[3-(methoxymethyl)phenyl]oxan-3-yl]methyl]-2-methylpropan-1-amine
CID 79371187
N-[[2-(4-propan-2-ylphenyl)oxan-3-yl]methyl]cyclopropanamine
CID 79365200
2-methyl-N-[(2-methyloxan-3-yl)methyl]propan-1-amine
CID 79365304
N-[[2-(4-propan-2-yloxyphenyl)oxan-3-yl]methyl]propan-1-amine
CID 79370721
N-methyl-1-[2-(4-propan-2-yloxyphenyl)oxan-3-yl]methanamine
CID 79365715
N-[[2-(3-chloro-4-fluorophenyl)oxan-3-yl]methyl]-2-methoxyethanamine
CID 81156218
N-[[2-(4-fluoro-3-methylphenyl)oxan-3-yl]methyl]propan-2-amine
CID 79365740
N-[[2-(4-methoxy-3-methylphenyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 79367996
N-[(2-cycloheptyloxan-3-yl)methyl]-2-methylpropan-1-amine
CID 79364575

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-chlorophenyl)oxan-3-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(4-chlorophenyl)oxan-3-yl]methyl]-2-methylpropan-1-amine (CID 79364574) is N-[[2-(4-chlorophenyl)oxan-3-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(4-chlorophenyl)oxan-3-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(4-chlorophenyl)oxan-3-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1CCCOC1c1ccc(Cl)cc1.
What is the InChIKey of N-[[2-(4-chlorophenyl)oxan-3-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is TWOAOGHPFZZWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-12(2)10-18-11-14-4-3-9-19-16(14)13-5-7-15(17)8-6-13/h5-8,12,14,16,18H,3-4,9-11H2,1-2H3.
What are the key properties of N-[[2-(4-chlorophenyl)oxan-3-yl]methyl]-2-methylpropan-1-amine?
N-[[2-(4-chlorophenyl)oxan-3-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 281.83 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-chlorophenyl)oxan-3-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 79364574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).