3-methyl-N-(oxan-2-ylmethyl)aniline

C13H19NO — CID 43403452

IUPAC3-methyl-N-(oxan-2-ylmethyl)aniline
SMILESCc1cccc(NCC2CCCCO2)c1
InChIInChI=1S/C13H19NO/c1-11-5-4-6-12(9-11)14-10-13-7-2-3-8-15-13/h4-6,9,13-14H,2-3,7-8,10H2,1H3
InChIKeyYGVHVFASRZFWPX-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.98
Rot. Bonds3

About 3-methyl-N-(oxan-2-ylmethyl)aniline

3-methyl-N-(oxan-2-ylmethyl)aniline (PubChem CID 43403452) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-methyl-N-(oxan-2-ylmethyl)aniline.

Molecular Properties

Compound Name3-methyl-N-(oxan-2-ylmethyl)aniline
PubChem CID43403452
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-methyl-N-(oxan-2-ylmethyl)aniline
SMILESCc1cccc(NCC2CCCCO2)c1
InChIInChI=1S/C13H19NO/c1-11-5-4-6-12(9-11)14-10-13-7-2-3-8-15-13/h4-6,9,13-14H,2-3,7-8,10H2,1H3
InChIKeyYGVHVFASRZFWPX-UHFFFAOYSA-N
XLogP2.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(oxolan-2-ylmethyl)aniline
CID 43179930
2-(3-methylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 54810604
2,5-dimethyl-N-(oxan-2-ylmethyl)aniline
CID 43403445
N-(cyclooctylmethyl)-3-methylaniline
CID 114207672
3-(3-chloropropyl)-N-(oxan-2-ylmethyl)aniline
CID 113397839
3-methyl-N-[4-(oxolan-2-ylmethylamino)phenyl]benzamide
CID 112981171
N-(cyclobutylmethyl)-3-methylaniline
CID 65459852
N-(cyclopropylmethyl)-3-methylaniline
CID 43560243
2-(3-methylphenyl)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide
CID 112981217
3-methyl-N-[2-(oxolan-2-ylmethylsulfonyl)ethyl]aniline
CID 106513613
methyl N-[3-(oxolan-2-ylmethylamino)phenyl]carbamate
CID 82835955
4-methyl-2-(oxan-2-ylmethylamino)benzonitrile
CID 62307968

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(oxan-2-ylmethyl)aniline?
The IUPAC name of 3-methyl-N-(oxan-2-ylmethyl)aniline (CID 43403452) is 3-methyl-N-(oxan-2-ylmethyl)aniline.
What is the SMILES notation for 3-methyl-N-(oxan-2-ylmethyl)aniline?
The canonical SMILES for 3-methyl-N-(oxan-2-ylmethyl)aniline is Cc1cccc(NCC2CCCCO2)c1.
What is the InChIKey of 3-methyl-N-(oxan-2-ylmethyl)aniline?
The InChIKey is YGVHVFASRZFWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-11-5-4-6-12(9-11)14-10-13-7-2-3-8-15-13/h4-6,9,13-14H,2-3,7-8,10H2,1H3.
What are the key properties of 3-methyl-N-(oxan-2-ylmethyl)aniline?
3-methyl-N-(oxan-2-ylmethyl)aniline has a molecular weight of 205.30 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(oxan-2-ylmethyl)aniline is sourced from PubChem (CID 43403452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).