N-[(3-ethylphenyl)-(thiolan-3-yl)methyl]propan-1-amine

C16H25NS — CID 105171150

IUPACN-[(3-ethylphenyl)-(thiolan-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(CC)c1)C1CCSC1
InChIInChI=1S/C16H25NS/c1-3-9-17-16(15-8-10-18-12-15)14-7-5-6-13(4-2)11-14/h5-7,11,15-17H,3-4,8-10,12H2,1-2H3
InChIKeyYXSJEIXCQBOHHF-UHFFFAOYSA-N
MW263.45 g/mol
LogP4.04
Rot. Bonds6

About N-[(3-ethylphenyl)-(thiolan-3-yl)methyl]propan-1-amine

N-[(3-ethylphenyl)-(thiolan-3-yl)methyl]propan-1-amine (PubChem CID 105171150) has the molecular formula C16H25NS and a molecular weight of 263.45 g/mol. Its IUPAC name is N-[(3-ethylphenyl)-(thiolan-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-ethylphenyl)-(thiolan-3-yl)methyl]propan-1-amine
PubChem CID105171150
Molecular FormulaC16H25NS
Molecular Weight263.45 g/mol
Exact Mass263.17
IUPAC NameN-[(3-ethylphenyl)-(thiolan-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(CC)c1)C1CCSC1
InChIInChI=1S/C16H25NS/c1-3-9-17-16(15-8-10-18-12-15)14-7-5-6-13(4-2)11-14/h5-7,11,15-17H,3-4,8-10,12H2,1-2H3
InChIKeyYXSJEIXCQBOHHF-UHFFFAOYSA-N
XLogP4.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(2-methylpropyl)phenyl]-(thiolan-3-yl)methyl]propan-1-amine
CID 105188104
N-[thiolan-3-yl-[3-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 105145863
N-[[3-fluoro-4-(trifluoromethyl)phenyl]-(thiolan-3-yl)methyl]propan-1-amine
CID 107291699
N-[(3-ethylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
CID 105018792
N-[(2-methylphenyl)-(thiolan-3-yl)methyl]propan-1-amine
CID 105094654
N-[cyclopropyl-(3-fluorophenyl)methyl]propan-1-amine
CID 60818901
N-[(4-methylthiomorpholin-3-yl)-(3-propylphenyl)methyl]propan-1-amine
CID 106445558
N-[3-bicyclo[3.1.0]hexanyl-(3-propylphenyl)methyl]propan-1-amine
CID 105050218
N-[(2,4-difluorophenyl)-(thiolan-3-yl)methyl]propan-1-amine
CID 105143690
N-[2-(3-methoxyphenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine
CID 105133765
N-[[2-(2-methoxyethoxy)phenyl]-(thiolan-3-yl)methyl]propan-1-amine
CID 105180504
(R)-cyclopropyl-(3-ethylphenyl)methanamine
CID 55277646

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylphenyl)-(thiolan-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3-ethylphenyl)-(thiolan-3-yl)methyl]propan-1-amine (CID 105171150) is N-[(3-ethylphenyl)-(thiolan-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-ethylphenyl)-(thiolan-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-ethylphenyl)-(thiolan-3-yl)methyl]propan-1-amine is CCCNC(c1cccc(CC)c1)C1CCSC1.
What is the InChIKey of N-[(3-ethylphenyl)-(thiolan-3-yl)methyl]propan-1-amine?
The InChIKey is YXSJEIXCQBOHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NS/c1-3-9-17-16(15-8-10-18-12-15)14-7-5-6-13(4-2)11-14/h5-7,11,15-17H,3-4,8-10,12H2,1-2H3.
What are the key properties of N-[(3-ethylphenyl)-(thiolan-3-yl)methyl]propan-1-amine?
N-[(3-ethylphenyl)-(thiolan-3-yl)methyl]propan-1-amine has a molecular weight of 263.45 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylphenyl)-(thiolan-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 105171150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).