N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(2,4-dimethylphenyl)ethanamine

C16H23NO — CID 62065092

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(2,4-dimethylphenyl)ethanamine
SMILESCc1ccc(C(C)NCC2CCC=CO2)c(C)c1
InChIInChI=1S/C16H23NO/c1-12-7-8-16(13(2)10-12)14(3)17-11-15-6-4-5-9-18-15/h5,7-10,14-15,17H,4,6,11H2,1-3H3
InChIKeyMKTGHMCSKXPOHG-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.65
Rot. Bonds4

About N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(2,4-dimethylphenyl)ethanamine

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(2,4-dimethylphenyl)ethanamine (PubChem CID 62065092) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(2,4-dimethylphenyl)ethanamine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(2,4-dimethylphenyl)ethanamine
PubChem CID62065092
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(2,4-dimethylphenyl)ethanamine
SMILESCc1ccc(C(C)NCC2CCC=CO2)c(C)c1
InChIInChI=1S/C16H23NO/c1-12-7-8-16(13(2)10-12)14(3)17-11-15-6-4-5-9-18-15/h5,7-10,14-15,17H,4,6,11H2,1-3H3
InChIKeyMKTGHMCSKXPOHG-UHFFFAOYSA-N
XLogP3.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(4-methylphenyl)ethanamine
CID 62064923
1-(3,4-difluorophenyl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine
CID 62065619
1-(2,4-dimethylphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 60920008
(1R)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81370528
N-[(2,2-dimethylcyclopropyl)methyl]-1-(2,4-dimethylphenyl)ethanamine
CID 114107679
4-[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]benzonitrile
CID 55030449
(1R)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 81376644
2-(3,4-dihydro-2H-pyran-2-ylmethylamino)propan-1-ol
CID 62066153
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-ethylpentan-2-amine
CID 63842970
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 62066917
(2S)-2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-3-methylbutan-1-ol
CID 79253986
1-(4-bromophenyl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-2-amine
CID 62066163

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(2,4-dimethylphenyl)ethanamine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(2,4-dimethylphenyl)ethanamine (CID 62065092) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(2,4-dimethylphenyl)ethanamine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(2,4-dimethylphenyl)ethanamine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(2,4-dimethylphenyl)ethanamine is Cc1ccc(C(C)NCC2CCC=CO2)c(C)c1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(2,4-dimethylphenyl)ethanamine?
The InChIKey is MKTGHMCSKXPOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-12-7-8-16(13(2)10-12)14(3)17-11-15-6-4-5-9-18-15/h5,7-10,14-15,17H,4,6,11H2,1-3H3.
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(2,4-dimethylphenyl)ethanamine?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(2,4-dimethylphenyl)ethanamine has a molecular weight of 245.37 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(2,4-dimethylphenyl)ethanamine is sourced from PubChem (CID 62065092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).