N-[[4-(aminomethyl)phenyl]methyl]-N-methylthiolan-3-amine

C13H20N2S — CID 43296812

IUPACN-[[4-(aminomethyl)phenyl]methyl]-N-methylthiolan-3-amine
SMILESCN(Cc1ccc(CN)cc1)C1CCSC1
InChIInChI=1S/C13H20N2S/c1-15(13-6-7-16-10-13)9-12-4-2-11(8-14)3-5-12/h2-5,13H,6-10,14H2,1H3
InChIKeyINYXHOQJNLJAGE-UHFFFAOYSA-N
MW236.38 g/mol
LogP2.08
Rot. Bonds4

About N-[[4-(aminomethyl)phenyl]methyl]-N-methylthiolan-3-amine

N-[[4-(aminomethyl)phenyl]methyl]-N-methylthiolan-3-amine (PubChem CID 43296812) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]-N-methylthiolan-3-amine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]-N-methylthiolan-3-amine
PubChem CID43296812
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]-N-methylthiolan-3-amine
SMILESCN(Cc1ccc(CN)cc1)C1CCSC1
InChIInChI=1S/C13H20N2S/c1-15(13-6-7-16-10-13)9-12-4-2-11(8-14)3-5-12/h2-5,13H,6-10,14H2,1H3
InChIKeyINYXHOQJNLJAGE-UHFFFAOYSA-N
XLogP2.08
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylthiolan-3-amine
CID 105346911
(E)-3-[4-[[methyl(thiolan-3-yl)amino]methyl]phenyl]prop-2-enoic acid
CID 109375455
[2-methyl-4-[[methyl(thiolan-3-yl)amino]methyl]phenyl]methanol
CID 130215315
N-[4-(2-aminoethyl)phenyl]-N-methylthiolan-3-amine
CID 63784257
N-[[3-(3-aminoprop-1-ynyl)-5-fluorophenyl]methyl]-N-methylthiolan-3-amine
CID 79706616
N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-methylthiolan-3-amine
CID 66389020
2-fluoro-5-[[methyl-[(3S)-thiolan-3-yl]amino]methyl]benzonitrile
CID 97093601
N-methyl-6-[[methyl(thiolan-3-yl)amino]methyl]pyridin-2-amine
CID 79243435
5-[[methyl(thiolan-3-yl)amino]methyl]-N-propylpyridin-2-amine
CID 62183800
4-(aminomethyl)-2-fluoro-N-methyl-N-(thiolan-3-yl)benzenesulfonamide
CID 79187466
N-[(5-amino-2-chlorophenyl)methyl]-N-methylthiolan-3-amine
CID 43296266
N-[(5-chloropyrazin-2-yl)methyl]-N-methylthiolan-3-amine
CID 103054068

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-N-methylthiolan-3-amine?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-N-methylthiolan-3-amine (CID 43296812) is N-[[4-(aminomethyl)phenyl]methyl]-N-methylthiolan-3-amine.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]-N-methylthiolan-3-amine?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]-N-methylthiolan-3-amine is CN(Cc1ccc(CN)cc1)C1CCSC1.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]-N-methylthiolan-3-amine?
The InChIKey is INYXHOQJNLJAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-15(13-6-7-16-10-13)9-12-4-2-11(8-14)3-5-12/h2-5,13H,6-10,14H2,1H3.
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]-N-methylthiolan-3-amine?
N-[[4-(aminomethyl)phenyl]methyl]-N-methylthiolan-3-amine has a molecular weight of 236.38 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)phenyl]methyl]-N-methylthiolan-3-amine is sourced from PubChem (CID 43296812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).