N-[[3-[(3-chloro-4-fluorophenyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine

C16H23ClFNO — CID 103041093

IUPACN-[[3-[(3-chloro-4-fluorophenyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(Cc2ccc(F)c(Cl)c2)CCOC1
InChIInChI=1S/C16H23ClFNO/c1-15(2,3)19-10-16(6-7-20-11-16)9-12-4-5-14(18)13(17)8-12/h4-5,8,19H,6-7,9-11H2,1-3H3
InChIKeyVKJMLUZXXAIFHB-UHFFFAOYSA-N
MW299.82 g/mol
LogP3.82
Rot. Bonds4

About N-[[3-[(3-chloro-4-fluorophenyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine

N-[[3-[(3-chloro-4-fluorophenyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 103041093) has the molecular formula C16H23ClFNO and a molecular weight of 299.82 g/mol. Its IUPAC name is N-[[3-[(3-chloro-4-fluorophenyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-[(3-chloro-4-fluorophenyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID103041093
Molecular FormulaC16H23ClFNO
Molecular Weight299.82 g/mol
Exact Mass299.15
IUPAC NameN-[[3-[(3-chloro-4-fluorophenyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(Cc2ccc(F)c(Cl)c2)CCOC1
InChIInChI=1S/C16H23ClFNO/c1-15(2,3)19-10-16(6-7-20-11-16)9-12-4-5-14(18)13(17)8-12/h4-5,8,19H,6-7,9-11H2,1-3H3
InChIKeyVKJMLUZXXAIFHB-UHFFFAOYSA-N
XLogP3.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.82
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-6-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine
CID 103024952
1-(4-chloro-2-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine
CID 103029513
1-(2-chloro-5-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine
CID 103029529
1-(3-chloro-2-fluorophenyl)-4-methoxy-N,4-dimethylpentan-2-amine
CID 103029547
1-(3-chloro-2-fluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-2-amine
CID 103029548
1-(3-chloro-2-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine
CID 103029549
1-(3-chloro-4-fluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 103031260
1-(5-chloro-2-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103031341
1-(3-chloro-4-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103031423
1-(3-chloro-2-fluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 103031434
1-(3-chloro-2-fluorophenyl)-5-methoxy-N,5-dimethylhexan-2-amine
CID 103036013
1-(3-chloro-2-fluorophenyl)-N-ethyl-5-methoxy-5-methylhexan-2-amine
CID 103036014

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3-chloro-4-fluorophenyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-[(3-chloro-4-fluorophenyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine (CID 103041093) is N-[[3-[(3-chloro-4-fluorophenyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-[(3-chloro-4-fluorophenyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-[(3-chloro-4-fluorophenyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1(Cc2ccc(F)c(Cl)c2)CCOC1.
What is the InChIKey of N-[[3-[(3-chloro-4-fluorophenyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is VKJMLUZXXAIFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClFNO/c1-15(2,3)19-10-16(6-7-20-11-16)9-12-4-5-14(18)13(17)8-12/h4-5,8,19H,6-7,9-11H2,1-3H3.
What are the key properties of N-[[3-[(3-chloro-4-fluorophenyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine?
N-[[3-[(3-chloro-4-fluorophenyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 299.82 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3-chloro-4-fluorophenyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 103041093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).