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

C15H21NO — CID 62064923

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(4-methylphenyl)ethanamine
SMILESCc1ccc(C(C)NCC2CCC=CO2)cc1
InChIInChI=1S/C15H21NO/c1-12-6-8-14(9-7-12)13(2)16-11-15-5-3-4-10-17-15/h4,6-10,13,15-16H,3,5,11H2,1-2H3
InChIKeyISMKVGZJEMQUKS-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.34
Rot. Bonds4

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

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(4-methylphenyl)ethanamine (PubChem CID 62064923) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(4-methylphenyl)ethanamine
PubChem CID62064923
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(4-methylphenyl)ethanamine
SMILESCc1ccc(C(C)NCC2CCC=CO2)cc1
InChIInChI=1S/C15H21NO/c1-12-6-8-14(9-7-12)13(2)16-11-15-5-3-4-10-17-15/h4,6-10,13,15-16H,3,5,11H2,1-2H3
InChIKeyISMKVGZJEMQUKS-UHFFFAOYSA-N
XLogP3.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(4-methylphenyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81370528
4-[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]benzonitrile
CID 55030449
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(2,4-dimethylphenyl)ethanamine
CID 62065092
1-(3,4-difluorophenyl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine
CID 62065619
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-pyridin-3-ylethanamine
CID 62064372
(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
1-(4-methylphenyl)-N-(thian-4-ylmethyl)ethanamine
CID 115720001
(2S)-2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-3-methylbutan-1-ol
CID 79253986
1-cyclopropyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-phenylmethanamine
CID 55030737

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(4-methylphenyl)ethanamine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(4-methylphenyl)ethanamine (CID 62064923) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(4-methylphenyl)ethanamine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(4-methylphenyl)ethanamine is Cc1ccc(C(C)NCC2CCC=CO2)cc1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(4-methylphenyl)ethanamine?
The InChIKey is ISMKVGZJEMQUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-12-6-8-14(9-7-12)13(2)16-11-15-5-3-4-10-17-15/h4,6-10,13,15-16H,3,5,11H2,1-2H3.
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(4-methylphenyl)ethanamine?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(4-methylphenyl)ethanamine has a molecular weight of 231.34 g/mol, XLogP of 3.34, 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-(4-methylphenyl)ethanamine is sourced from PubChem (CID 62064923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).