N-[[3-chloro-2-(oxolan-2-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine

C16H24ClNO2 — CID 115954695

IUPACN-[[3-chloro-2-(oxolan-2-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cccc(Cl)c1OCC1CCCO1
InChIInChI=1S/C16H24ClNO2/c1-16(2,3)18-10-12-6-4-8-14(17)15(12)20-11-13-7-5-9-19-13/h4,6,8,13,18H,5,7,9-11H2,1-3H3
InChIKeyMCWKOBRLLWGNCZ-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.79
Rot. Bonds5

About N-[[3-chloro-2-(oxolan-2-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine

N-[[3-chloro-2-(oxolan-2-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 115954695) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is N-[[3-chloro-2-(oxolan-2-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-chloro-2-(oxolan-2-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine
PubChem CID115954695
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC NameN-[[3-chloro-2-(oxolan-2-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cccc(Cl)c1OCC1CCCO1
InChIInChI=1S/C16H24ClNO2/c1-16(2,3)18-10-12-6-4-8-14(17)15(12)20-11-13-7-5-9-19-13/h4,6,8,13,18H,5,7,9-11H2,1-3H3
InChIKeyMCWKOBRLLWGNCZ-UHFFFAOYSA-N
XLogP3.79
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-chloro-2-(oxan-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 112608637
2-methyl-N-[[3-methyl-2-(oxan-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 115954254
5-[[2-[(tert-butylamino)methyl]-6-chlorophenoxy]methyl]-1,3-oxazolidin-2-one
CID 115954681
3-chloro-2-(oxolan-2-ylmethoxy)aniline
CID 43187374
N-[[3-chloro-2-[2-(oxolan-2-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 115953760
3-chloro-2-[[(2S)-oxan-2-yl]methoxy]aniline
CID 26189169
N-[(3-chloro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 112610454
2-methyl-N-[[4-(oxolan-2-ylmethoxy)-3-pyridinyl]methyl]propan-2-amine
CID 81254995
[3-chloro-2-[2-(oxolan-2-yl)ethoxy]phenyl]methanamine
CID 112607668
2-methyl-N-[[2-(oxolan-2-ylmethoxymethyl)furan-3-yl]methyl]propan-2-amine
CID 62444617
N-[[3,5-dichloro-2-(oxolan-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 43515830
N-[[3-chloro-2-(4-methoxybutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 104647181

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-2-(oxolan-2-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-chloro-2-(oxolan-2-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine (CID 115954695) is N-[[3-chloro-2-(oxolan-2-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-chloro-2-(oxolan-2-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-chloro-2-(oxolan-2-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cccc(Cl)c1OCC1CCCO1.
What is the InChIKey of N-[[3-chloro-2-(oxolan-2-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is MCWKOBRLLWGNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-16(2,3)18-10-12-6-4-8-14(17)15(12)20-11-13-7-5-9-19-13/h4,6,8,13,18H,5,7,9-11H2,1-3H3.
What are the key properties of N-[[3-chloro-2-(oxolan-2-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine?
N-[[3-chloro-2-(oxolan-2-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 297.83 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-2-(oxolan-2-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 115954695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).