N-(3,6-dihydro-2H-pyran-5-ylmethyl)aniline

C12H15NO — CID 115741869

IUPACN-(3,6-dihydro-2H-pyran-5-ylmethyl)aniline
SMILESC1=C(CNc2ccccc2)COCC1
InChIInChI=1S/C12H15NO/c1-2-6-12(7-3-1)13-9-11-5-4-8-14-10-11/h1-3,5-7,13H,4,8-10H2
InChIKeyUCNWNWUMLGPFDH-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.45
Rot. Bonds3

About N-(3,6-dihydro-2H-pyran-5-ylmethyl)aniline

N-(3,6-dihydro-2H-pyran-5-ylmethyl)aniline (PubChem CID 115741869) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is N-(3,6-dihydro-2H-pyran-5-ylmethyl)aniline.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)aniline
PubChem CID115741869
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)aniline
SMILESC1=C(CNc2ccccc2)COCC1
InChIInChI=1S/C12H15NO/c1-2-6-12(7-3-1)13-9-11-5-4-8-14-10-11/h1-3,5-7,13H,4,8-10H2
InChIKeyUCNWNWUMLGPFDH-UHFFFAOYSA-N
XLogP2.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-methylaniline
CID 115742737
2-[[5-(3,6-dihydro-2H-pyran-5-ylmethylamino)-2-pyridinyl]oxy]ethanol
CID 109379967
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,4-dimethylaniline
CID 115741866
3,6-dihydro-2H-pyran-5-ylmethanamine;hydrochloride
CID 119031419
2-(anilinomethyl)cyclohex-2-en-1-one
CID 134853640
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-ethylbutan-1-amine
CID 115742022
N-[[5-(anilinomethyl)furan-2-yl]methyl]aniline
CID 155545508
N-benzyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)prop-2-enamide
CID 146095242
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-thiophen-2-ylpropan-2-amine
CID 115741814
1-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-ethylthiourea
CID 130626503
CID 163931246
CID 163931246
(3R)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)oxan-3-amine
CID 131176619

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)aniline?
The IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)aniline (CID 115741869) is N-(3,6-dihydro-2H-pyran-5-ylmethyl)aniline.
What is the SMILES notation for N-(3,6-dihydro-2H-pyran-5-ylmethyl)aniline?
The canonical SMILES for N-(3,6-dihydro-2H-pyran-5-ylmethyl)aniline is C1=C(CNc2ccccc2)COCC1.
What is the InChIKey of N-(3,6-dihydro-2H-pyran-5-ylmethyl)aniline?
The InChIKey is UCNWNWUMLGPFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-2-6-12(7-3-1)13-9-11-5-4-8-14-10-11/h1-3,5-7,13H,4,8-10H2.
What are the key properties of N-(3,6-dihydro-2H-pyran-5-ylmethyl)aniline?
N-(3,6-dihydro-2H-pyran-5-ylmethyl)aniline has a molecular weight of 189.26 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dihydro-2H-pyran-5-ylmethyl)aniline is sourced from PubChem (CID 115741869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).