N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]thiolan-3-amine

C14H22N2S — CID 62421861

IUPACN-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]thiolan-3-amine
SMILESCNCc1ccccc1CN(C)C1CCSC1
InChIInChI=1S/C14H22N2S/c1-15-9-12-5-3-4-6-13(12)10-16(2)14-7-8-17-11-14/h3-6,14-15H,7-11H2,1-2H3
InChIKeyTXVJPUWQXJBRIC-UHFFFAOYSA-N
MW250.41 g/mol
LogP2.34
Rot. Bonds5

About N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]thiolan-3-amine

N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]thiolan-3-amine (PubChem CID 62421861) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]thiolan-3-amine.

Molecular Properties

Compound NameN-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]thiolan-3-amine
PubChem CID62421861
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC NameN-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]thiolan-3-amine
SMILESCNCc1ccccc1CN(C)C1CCSC1
InChIInChI=1S/C14H22N2S/c1-15-9-12-5-3-4-6-13(12)10-16(2)14-7-8-17-11-14/h3-6,14-15H,7-11H2,1-2H3
InChIKeyTXVJPUWQXJBRIC-UHFFFAOYSA-N
XLogP2.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(ethylaminomethyl)phenyl]methyl]-N-methylthiolan-3-amine
CID 55074886
N-methyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]thiolan-3-amine
CID 62422601
N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]thiolan-3-amine
CID 55074646
methyl 2-[[methyl(thiolan-3-yl)amino]methyl]benzoate
CID 82969785
2-[[methyl(thiolan-3-yl)amino]methyl]benzohydrazide
CID 55213439
N-methyl-4-(methylaminomethyl)-N-(thiolan-3-yl)isoquinolin-1-amine
CID 106775168
N-[4-bromo-2-(methylaminomethyl)phenyl]-N-methylthiolan-3-amine
CID 114061750
(3S)-N-methyl-N-(quinolin-2-ylmethyl)thiolan-3-amine
CID 97093086
N-methyl-6-[[methyl(thiolan-3-yl)amino]methyl]pyridin-2-amine
CID 79243435
N-methyl-N-[2-[(propan-2-ylamino)methyl]phenyl]thiolan-3-amine
CID 43296917
N,N',2-trimethyl-2-phenyl-N'-(thiolan-3-yl)propane-1,3-diamine
CID 62262755
N-[(5-amino-2-chlorophenyl)methyl]-N-methylthiolan-3-amine
CID 43296266

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]thiolan-3-amine?
The IUPAC name of N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]thiolan-3-amine (CID 62421861) is N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]thiolan-3-amine.
What is the SMILES notation for N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]thiolan-3-amine?
The canonical SMILES for N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]thiolan-3-amine is CNCc1ccccc1CN(C)C1CCSC1.
What is the InChIKey of N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]thiolan-3-amine?
The InChIKey is TXVJPUWQXJBRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-15-9-12-5-3-4-6-13(12)10-16(2)14-7-8-17-11-14/h3-6,14-15H,7-11H2,1-2H3.
What are the key properties of N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]thiolan-3-amine?
N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]thiolan-3-amine has a molecular weight of 250.41 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]thiolan-3-amine is sourced from PubChem (CID 62421861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).