1-(2-methoxyphenyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine

C14H21NOS — CID 80528627

IUPAC1-(2-methoxyphenyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
SMILESCOc1ccccc1CNCC1(C)CCCS1
InChIInChI=1S/C14H21NOS/c1-14(8-5-9-17-14)11-15-10-12-6-3-4-7-13(12)16-2/h3-4,6-7,15H,5,8-11H2,1-2H3
InChIKeyPWVOGLLTBKJYTH-UHFFFAOYSA-N
MW251.39 g/mol
LogP3.07
Rot. Bonds5

About 1-(2-methoxyphenyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine

1-(2-methoxyphenyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine (PubChem CID 80528627) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
PubChem CID80528627
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name1-(2-methoxyphenyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
SMILESCOc1ccccc1CNCC1(C)CCCS1
InChIInChI=1S/C14H21NOS/c1-14(8-5-9-17-14)11-15-10-12-6-3-4-7-13(12)16-2/h3-4,6-7,15H,5,8-11H2,1-2H3
InChIKeyPWVOGLLTBKJYTH-UHFFFAOYSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methylthiolan-2-yl)methyl]-1-(2-propan-2-yloxyphenyl)methanamine
CID 80528835
1-(2,5-dimethoxyphenyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 80527898
4-chloro-2-methoxy-6-[[(2-methylthiolan-2-yl)methylamino]methyl]phenol
CID 104646480
[1-[[(2-methoxyphenyl)methylamino]methyl]cyclopentyl]methanol
CID 115358929
1-(1-benzofuran-3-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 80723834
1-(2-chloro-3-fluorophenyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 112652185
1-(5-methoxythiophen-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 115702799
1-(4-ethoxy-3-methoxyphenyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 80528549
1-(3-bromo-4,5-dimethoxyphenyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 80528631
2-[[(2-methoxyphenyl)methylamino]methyl]-2-methylcyclohexan-1-ol
CID 111696243
1-(4-bromo-2-fluorophenyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 80528679
N-[(2-methoxyphenyl)methyl]-1-methylcyclopropan-1-amine
CID 115635134

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine?
The IUPAC name of 1-(2-methoxyphenyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine (CID 80528627) is 1-(2-methoxyphenyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine?
The canonical SMILES for 1-(2-methoxyphenyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine is COc1ccccc1CNCC1(C)CCCS1.
What is the InChIKey of 1-(2-methoxyphenyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine?
The InChIKey is PWVOGLLTBKJYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-14(8-5-9-17-14)11-15-10-12-6-3-4-7-13(12)16-2/h3-4,6-7,15H,5,8-11H2,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine?
1-(2-methoxyphenyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine has a molecular weight of 251.39 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine is sourced from PubChem (CID 80528627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).