N-[(2-methylthiolan-2-yl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine

C18H22N2S — CID 80726511

IUPACN-[(2-methylthiolan-2-yl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine
SMILESCC1(CNC(c2ccccc2)c2ccccn2)CCCS1
InChIInChI=1S/C18H22N2S/c1-18(11-7-13-21-18)14-20-17(15-8-3-2-4-9-15)16-10-5-6-12-19-16/h2-6,8-10,12,17,20H,7,11,13-14H2,1H3
InChIKeyCZNRKZCZIBRZMC-UHFFFAOYSA-N
MW298.46 g/mol
LogP4.05
Rot. Bonds5

About N-[(2-methylthiolan-2-yl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine

N-[(2-methylthiolan-2-yl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine (PubChem CID 80726511) has the molecular formula C18H22N2S and a molecular weight of 298.46 g/mol. Its IUPAC name is N-[(2-methylthiolan-2-yl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine.

Molecular Properties

Compound NameN-[(2-methylthiolan-2-yl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine
PubChem CID80726511
Molecular FormulaC18H22N2S
Molecular Weight298.46 g/mol
Exact Mass298.15
IUPAC NameN-[(2-methylthiolan-2-yl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine
SMILESCC1(CNC(c2ccccc2)c2ccccn2)CCCS1
InChIInChI=1S/C18H22N2S/c1-18(11-7-13-21-18)14-20-17(15-8-3-2-4-9-15)16-10-5-6-12-19-16/h2-6,8-10,12,17,20H,7,11,13-14H2,1H3
InChIKeyCZNRKZCZIBRZMC-UHFFFAOYSA-N
XLogP4.05
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.46
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylcyclobutyl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine
CID 103949345
N-[(2-methylthiolan-2-yl)methyl]-1-phenylethanamine
CID 80527826
N-[(2-methylthiolan-2-yl)methyl]-1-phenylpropan-1-amine
CID 80527869
N-[(2,2-dimethylcyclopropyl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine
CID 103949198
2-(2-methyl-1,3-dioxolan-2-yl)-N-[phenyl(pyridin-2-yl)methyl]ethanamine
CID 86791432
1-(4-fluorophenyl)-N-[(4-methylpiperidin-4-yl)methyl]-1-pyridin-2-ylmethanamine
CID 121413050
1-phenyl-1-pyridin-2-yl-N-(thian-4-ylmethyl)methanamine
CID 115971963
1-(4-fluorophenyl)-N-[(4-methylpiperidin-4-yl)methyl]-1-pyridin-2-ylmethanamine;hydrochloride
CID 121413049
2-cyclopentyl-N-[phenyl(pyridin-2-yl)methyl]ethanamine
CID 60921142
1-(2-bromophenyl)-N-[(2-methylthiolan-2-yl)methyl]ethanamine
CID 80527896
N'-[phenyl(pyridin-2-yl)methyl]propane-1,3-diamine
CID 60889324
2-ethylsulfonyl-N-[phenyl(pyridin-2-yl)methyl]ethanamine
CID 103948036

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylthiolan-2-yl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine?
The IUPAC name of N-[(2-methylthiolan-2-yl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine (CID 80726511) is N-[(2-methylthiolan-2-yl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine.
What is the SMILES notation for N-[(2-methylthiolan-2-yl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine?
The canonical SMILES for N-[(2-methylthiolan-2-yl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine is CC1(CNC(c2ccccc2)c2ccccn2)CCCS1.
What is the InChIKey of N-[(2-methylthiolan-2-yl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine?
The InChIKey is CZNRKZCZIBRZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2S/c1-18(11-7-13-21-18)14-20-17(15-8-3-2-4-9-15)16-10-5-6-12-19-16/h2-6,8-10,12,17,20H,7,11,13-14H2,1H3.
What are the key properties of N-[(2-methylthiolan-2-yl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine?
N-[(2-methylthiolan-2-yl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine has a molecular weight of 298.46 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylthiolan-2-yl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine is sourced from PubChem (CID 80726511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).