N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(oxan-2-yl)methanamine

C17H27NO — CID 105050817

IUPACN-methyl-1-[3-(2-methylpropyl)phenyl]-1-(oxan-2-yl)methanamine
SMILESCNC(c1cccc(CC(C)C)c1)C1CCCCO1
InChIInChI=1S/C17H27NO/c1-13(2)11-14-7-6-8-15(12-14)17(18-3)16-9-4-5-10-19-16/h6-8,12-13,16-18H,4-5,9-11H2,1-3H3
InChIKeyZOPKLJMHCHEVDR-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.71
Rot. Bonds5

About N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(oxan-2-yl)methanamine

N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(oxan-2-yl)methanamine (PubChem CID 105050817) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(oxan-2-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(2-methylpropyl)phenyl]-1-(oxan-2-yl)methanamine
PubChem CID105050817
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-methyl-1-[3-(2-methylpropyl)phenyl]-1-(oxan-2-yl)methanamine
SMILESCNC(c1cccc(CC(C)C)c1)C1CCCCO1
InChIInChI=1S/C17H27NO/c1-13(2)11-14-7-6-8-15(12-14)17(18-3)16-9-4-5-10-19-16/h6-8,12-13,16-18H,4-5,9-11H2,1-3H3
InChIKeyZOPKLJMHCHEVDR-UHFFFAOYSA-N
XLogP3.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(2-methylpropyl)phenyl]-(oxan-2-yl)methanamine
CID 105050818
[3-(2-methylpropyl)phenyl]-(oxan-2-yl)methanol
CID 115838200
N-methyl-1-(oxan-2-yl)-1-phenylmethanamine
CID 62213165
1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
CID 105050622
1-(3-fluorophenyl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 65328286
1-(2,2-dimethylcyclopentyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
CID 107191342
1-(4,4-dimethylcyclohexyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
CID 116544532
1-(3-fluoro-4-methylphenyl)-N-methyl-1-(oxan-2-yl)methanamine
CID 107130447
2-(1,3-dioxolan-2-yl)-N-methyl-1-[3-(2-methylpropyl)phenyl]ethanamine
CID 103547251
(1S)-N-methyl-2-(3-methylphenyl)-1-[(2S)-oxolan-2-yl]ethanamine
CID 124509379
N-methyl-1-naphthalen-2-yl-1-(oxolan-2-yl)methanamine
CID 65328741
3-cyclohexyl-N-methyl-1-[3-(2-methylpropyl)phenyl]propan-1-amine
CID 105050635

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(oxan-2-yl)methanamine?
The IUPAC name of N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(oxan-2-yl)methanamine (CID 105050817) is N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(oxan-2-yl)methanamine.
What is the SMILES notation for N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(oxan-2-yl)methanamine?
The canonical SMILES for N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(oxan-2-yl)methanamine is CNC(c1cccc(CC(C)C)c1)C1CCCCO1.
What is the InChIKey of N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(oxan-2-yl)methanamine?
The InChIKey is ZOPKLJMHCHEVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13(2)11-14-7-6-8-15(12-14)17(18-3)16-9-4-5-10-19-16/h6-8,12-13,16-18H,4-5,9-11H2,1-3H3.
What are the key properties of N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(oxan-2-yl)methanamine?
N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(oxan-2-yl)methanamine has a molecular weight of 261.41 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(oxan-2-yl)methanamine is sourced from PubChem (CID 105050817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).