1-(3-methylphenyl)-N-(thiolan-3-ylmethyl)ethanamine

C14H21NS — CID 107295474

IUPAC1-(3-methylphenyl)-N-(thiolan-3-ylmethyl)ethanamine
SMILESCc1cccc(C(C)NCC2CCSC2)c1
InChIInChI=1S/C14H21NS/c1-11-4-3-5-14(8-11)12(2)15-9-13-6-7-16-10-13/h3-5,8,12-13,15H,6-7,9-10H2,1-2H3
InChIKeyIQVUIDPSENIREB-UHFFFAOYSA-N
MW235.40 g/mol
LogP3.40
Rot. Bonds4

About 1-(3-methylphenyl)-N-(thiolan-3-ylmethyl)ethanamine

1-(3-methylphenyl)-N-(thiolan-3-ylmethyl)ethanamine (PubChem CID 107295474) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is 1-(3-methylphenyl)-N-(thiolan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(3-methylphenyl)-N-(thiolan-3-ylmethyl)ethanamine
PubChem CID107295474
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC Name1-(3-methylphenyl)-N-(thiolan-3-ylmethyl)ethanamine
SMILESCc1cccc(C(C)NCC2CCSC2)c1
InChIInChI=1S/C14H21NS/c1-11-4-3-5-14(8-11)12(2)15-9-13-6-7-16-10-13/h3-5,8,12-13,15H,6-7,9-10H2,1-2H3
InChIKeyIQVUIDPSENIREB-UHFFFAOYSA-N
XLogP3.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(3-bromophenyl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107132275
(1S)-N-(cyclopentylmethyl)-1-(3-methylphenyl)ethanamine
CID 81364259
(1R)-N-(cycloheptylmethyl)-1-(3-methylphenyl)ethanamine
CID 81363930
1-(2,5-dimethylphenyl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107131699
N-[(4-ethylcyclohexyl)methyl]-1-(3-methylphenyl)ethanamine
CID 55191785
5-methyl-2-[1-(thiolan-3-ylmethylamino)ethyl]phenol
CID 107295152
(1R)-N-(cyclohex-3-en-1-ylmethyl)-1-(3-methylphenyl)ethanamine
CID 81363043
1-(3-chlorophenyl)-N-(thian-4-ylmethyl)ethanamine
CID 115625455
(1R)-1-(4-fluorophenyl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107132261
3-propan-2-yl-N-(thiolan-3-ylmethyl)aniline
CID 107131296
1-(6-methoxynaphthalen-2-yl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107166080
1-(4-methylphenyl)-N-(thian-4-ylmethyl)ethanamine
CID 115720001

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-N-(thiolan-3-ylmethyl)ethanamine?
The IUPAC name of 1-(3-methylphenyl)-N-(thiolan-3-ylmethyl)ethanamine (CID 107295474) is 1-(3-methylphenyl)-N-(thiolan-3-ylmethyl)ethanamine.
What is the SMILES notation for 1-(3-methylphenyl)-N-(thiolan-3-ylmethyl)ethanamine?
The canonical SMILES for 1-(3-methylphenyl)-N-(thiolan-3-ylmethyl)ethanamine is Cc1cccc(C(C)NCC2CCSC2)c1.
What is the InChIKey of 1-(3-methylphenyl)-N-(thiolan-3-ylmethyl)ethanamine?
The InChIKey is IQVUIDPSENIREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS/c1-11-4-3-5-14(8-11)12(2)15-9-13-6-7-16-10-13/h3-5,8,12-13,15H,6-7,9-10H2,1-2H3.
What are the key properties of 1-(3-methylphenyl)-N-(thiolan-3-ylmethyl)ethanamine?
1-(3-methylphenyl)-N-(thiolan-3-ylmethyl)ethanamine has a molecular weight of 235.40 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-N-(thiolan-3-ylmethyl)ethanamine is sourced from PubChem (CID 107295474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).