[5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)thiophen-2-yl]methanamine

C16H20N2S — CID 107556744

IUPAC[5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)thiophen-2-yl]methanamine
SMILESNCc1ccc(CN2CCCc3ccccc3C2)s1
InChIInChI=1S/C16H20N2S/c17-10-15-7-8-16(19-15)12-18-9-3-6-13-4-1-2-5-14(13)11-18/h1-2,4-5,7-8H,3,6,9-12,17H2
InChIKeyGLORKBBFANIWOK-UHFFFAOYSA-N
MW272.42 g/mol
LogP3.16
Rot. Bonds3

About [5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)thiophen-2-yl]methanamine

[5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)thiophen-2-yl]methanamine (PubChem CID 107556744) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is [5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)thiophen-2-yl]methanamine.

Molecular Properties

Compound Name[5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)thiophen-2-yl]methanamine
PubChem CID107556744
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC Name[5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)thiophen-2-yl]methanamine
SMILESNCc1ccc(CN2CCCc3ccccc3C2)s1
InChIInChI=1S/C16H20N2S/c17-10-15-7-8-16(19-15)12-18-9-3-6-13-4-1-2-5-14(13)11-18/h1-2,4-5,7-8H,3,6,9-12,17H2
InChIKeyGLORKBBFANIWOK-UHFFFAOYSA-N
XLogP3.16
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)-1,3-thiazole
CID 79764594
2-[(4-bromothiophen-2-yl)methyl]-1,3,4,5-tetrahydro-2-benzazepine
CID 63152807
2-benzyl-1,3,4,5-tetrahydro-2-benzazepine;dihydrochloride
CID 142634815
N-propyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)-1,3-thiazol-2-amine
CID 79761275
2-[(4-bromophenyl)methyl]-1,3,4,5-tetrahydro-2-benzazepine
CID 63457850
[5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methanamine
CID 107557056
[5-[(3-methylpiperidin-1-yl)methyl]thiophen-2-yl]methanamine
CID 107555522
(3R)-1-[[5-(aminomethyl)thiophen-2-yl]methyl]piperidin-3-ol
CID 167916543
[5-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]thiophen-2-yl]methanamine
CID 107557012
[5-[(1-oxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]methanamine
CID 107556296
6-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)pyridin-3-ol
CID 82979220
2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)pyridin-3-amine
CID 104740064

Frequently Asked Questions

What is the IUPAC name of [5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)thiophen-2-yl]methanamine?
The IUPAC name of [5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)thiophen-2-yl]methanamine (CID 107556744) is [5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)thiophen-2-yl]methanamine.
What is the SMILES notation for [5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)thiophen-2-yl]methanamine?
The canonical SMILES for [5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)thiophen-2-yl]methanamine is NCc1ccc(CN2CCCc3ccccc3C2)s1.
What is the InChIKey of [5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)thiophen-2-yl]methanamine?
The InChIKey is GLORKBBFANIWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c17-10-15-7-8-16(19-15)12-18-9-3-6-13-4-1-2-5-14(13)11-18/h1-2,4-5,7-8H,3,6,9-12,17H2.
What are the key properties of [5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)thiophen-2-yl]methanamine?
[5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)thiophen-2-yl]methanamine has a molecular weight of 272.42 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)thiophen-2-yl]methanamine is sourced from PubChem (CID 107556744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).