2-methyl-N-[[(2R)-oxolan-2-yl]methyl]aniline

C12H17NO — CID 28585976

IUPAC2-methyl-N-[[(2R)-oxolan-2-yl]methyl]aniline
SMILESCc1ccccc1NC[C@H]1CCCO1
InChIInChI=1S/C12H17NO/c1-10-5-2-3-7-12(10)13-9-11-6-4-8-14-11/h2-3,5,7,11,13H,4,6,8-9H2,1H3/t11-/m1/s1
InChIKeyBQDGMKYGKAOPLZ-LLVKDONJSA-N
MW191.27 g/mol
LogP2.59
Rot. Bonds3

About 2-methyl-N-[[(2R)-oxolan-2-yl]methyl]aniline

2-methyl-N-[[(2R)-oxolan-2-yl]methyl]aniline (PubChem CID 28585976) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-methyl-N-[[(2R)-oxolan-2-yl]methyl]aniline.

Molecular Properties

Compound Name2-methyl-N-[[(2R)-oxolan-2-yl]methyl]aniline
PubChem CID28585976
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-methyl-N-[[(2R)-oxolan-2-yl]methyl]aniline
SMILESCc1ccccc1NC[C@H]1CCCO1
InChIInChI=1S/C12H17NO/c1-10-5-2-3-7-12(10)13-9-11-6-4-8-14-11/h2-3,5,7,11,13H,4,6,8-9H2,1H3/t11-/m1/s1
InChIKeyBQDGMKYGKAOPLZ-LLVKDONJSA-N
XLogP2.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-(oxolan-2-ylmethyl)benzene-1,2-diamine
CID 43115525
N-[2-(oxolan-2-ylmethylamino)phenyl]methanesulfonamide
CID 82835843
3-N-(2-methylphenyl)-5-N-(oxolan-2-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112944420
1-(2-methylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 886428
2-methyl-6-(oxan-2-ylmethylamino)benzonitrile
CID 114003060
2,5-dimethyl-N-(oxan-2-ylmethyl)aniline
CID 43403445
N'-(2-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide
CID 108943680
3-methyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 62254757
2-methyl-3-nitro-N-(oxolan-2-ylmethyl)aniline
CID 60721681
N-(2-methylphenyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109114870
2-N,2-N-dimethyl-3-N-(oxolan-2-ylmethyl)pyridine-2,3-diamine
CID 82834810
2-methyl-N-(oxolan-2-ylmethyl)-4-pyrrolidin-1-ylaniline
CID 82834994

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[(2R)-oxolan-2-yl]methyl]aniline?
The IUPAC name of 2-methyl-N-[[(2R)-oxolan-2-yl]methyl]aniline (CID 28585976) is 2-methyl-N-[[(2R)-oxolan-2-yl]methyl]aniline.
What is the SMILES notation for 2-methyl-N-[[(2R)-oxolan-2-yl]methyl]aniline?
The canonical SMILES for 2-methyl-N-[[(2R)-oxolan-2-yl]methyl]aniline is Cc1ccccc1NC[C@H]1CCCO1.
What is the InChIKey of 2-methyl-N-[[(2R)-oxolan-2-yl]methyl]aniline?
The InChIKey is BQDGMKYGKAOPLZ-LLVKDONJSA-N. The full InChI is InChI=1S/C12H17NO/c1-10-5-2-3-7-12(10)13-9-11-6-4-8-14-11/h2-3,5,7,11,13H,4,6,8-9H2,1H3/t11-/m1/s1.
What are the key properties of 2-methyl-N-[[(2R)-oxolan-2-yl]methyl]aniline?
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]aniline has a molecular weight of 191.27 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[(2R)-oxolan-2-yl]methyl]aniline is sourced from PubChem (CID 28585976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).